Isopropyl alcohol

Identification

Summary

Isopropyl alcohol is an antiseptic and disinfectant used in a variety of clinical and domestic settings.

Brand Names
Adrenalin, Avonex, Benefix, Cyltezo, Duraprep, Elevidys, Humira, Kenalog, Lupaneta Pack 1-month, Lupron, Marbeta, Meijer, P-Care M, P-Care MG, P-care, P-care X, Venipuncture Px1, Xyntha, Zolgensma Kit 2.6 - 3.0 Kg
Generic Name
Isopropyl alcohol
DrugBank Accession Number
DB02325
Background

An isomer of 1-propanol. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.

Type
Small Molecule
Groups
Approved, Investigational
Structure
Weight
Average: 60.095
Monoisotopic: 60.057514878
Chemical Formula
C3H8O
Synonyms
  • 2-Propanol
  • Alcohol isopropílico
  • Isopropanol
  • Isopropyl alcohol
External IDs
  • FEMA NO. 2929
  • NSC-135801

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to preventInfectionCombination Product in combination with: Iodine (DB05382)••••••••••••••••••••
Used as adjunct in combination for therapyInfectionCombination Product in combination with: Iodine (DB05382)••••••••••••••••••••
Prophylaxis ofInfection••• •••
Associated Therapies
Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
No interactions found.

Products

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Our datasets provide approved product information including:
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International/Other Brands
Isopro
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
1 Hotel Hand SanitizerGel100 mL/100mLTopicalPhytogenX, Inc.2020-08-24Not applicableUS flag
1000 Wet WipesCloth2825 g/10001TopicalJIANGSU MEIFAN BIOTECHNOLOGY CO., LTD.2020-11-11Not applicableUS flag
1000 Wet WipesCloth2.82 kg/10001TopicalJIANGSU MEIFAN BIOTECHNOLOGY CO., LTD.2020-11-09Not applicableUS flag
108 Hand SanitizerLiquid75 mL/100mLTopicalJAMESTOWN PAINT COMPANY2020-03-30Not applicableUS flag
16oz Isopropyl AlcoholLiquid70 mL/70mLTopicalCollective Science Integration2020-09-24Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
25 Person ANSIIsopropyl alcohol (70 mL/100mL) + Acetaminophen (325 mg/1) + Acetylsalicylic acid (325 mg/1) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (0.13 g/100g) + Benzalkonium chloride (0.40 mL/100mL) + Benzocaine (6 mL/100mL) + Ethanol (60 mL/100mL) + Ethanol (62 g/100g) + Ibuprofen (200 mg/1) + Lidocaine (0.5 g/100g) + Neomycin sulfate (5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL)KitOphthalmic; Oral; TopicalGenuine First Aid2010-04-25Not applicableUS flag
3M DuraPrep SurgicalIsopropyl alcohol (636.4 mg/1mL) + Iodine povacrylex (6.02 mg/1mL)SolutionTopical3M Company2006-09-29Not applicableUS flag
3M DURAPREP® SURGICAL SOLUTIONIsopropyl alcohol (60.61 % v/v) + Iodine (0.12 % v/v)SolutionTopical3M COLOMBIA S.A.2006-11-102015-08-03Colombia flag
3M SoluPrepIsopropyl alcohol (0.7 mL/1mL) + Chlorhexidine gluconate (20 mg/1mL)SolutionTopical3M Company2018-10-082020-09-30US flag
3M SoluPrepIsopropyl alcohol (0.7 mL/1mL) + Chlorhexidine gluconate (20 mg/1mL)SolutionTopical3M Company2018-10-08Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
4047 Fist Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL)KitTopicalHoneywell Safety Products USA, Inc2018-11-242019-10-18US flag
4048 Fist Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL)KitTopicalHoneywell Safety Products USA, Inc2018-11-242019-10-18US flag
4051 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Benzalkonium chloride (0.13 g/100g) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (0.5 g/100g) + Lidocaine hydrochloride (20 mg/1mL) + Neomycin sulfate (3.5 mg/1g)KitTopicalHoneywell Safety Products USA, Inc2018-11-212019-10-18US flag
4052 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Benzalkonium chloride (0.13 g/100g) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (0.5 g/100g) + Lidocaine hydrochloride (20 mg/1mL) + Neomycin sulfate (3.5 mg/1g)KitTopicalHoneywell Safety Products USA, Inc2018-11-212019-10-18US flag
4072First Aid KitIsopropyl alcohol (0.7 mL/1mL)KitTopicalHoneywell Safety Products USA, Inc2018-11-06Not applicableUS flag

Categories

ATC Codes
D08AX05 — Isopropanol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Alcohols and polyols
Direct Parent
Secondary alcohols
Alternative Parents
Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Hydrocarbon derivative / Secondary alcohol
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
secondary alcohol (CHEBI:17824) / a small molecule (ISO-PROPANOL)
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
ND2M416302
CAS number
67-63-0
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
IUPAC Name
propan-2-ol
SMILES
CC(C)O

References

Synthesis Reference

http://en.wikipedia.org/wiki/Alcohol#Laboratory_synthesis

General References
Not Available
Human Metabolome Database
HMDB0000863
KEGG Drug
D00137
KEGG Compound
C01845
PubChem Compound
3776
PubChem Substance
46508136
ChemSpider
3644
RxNav
797541
ChEBI
17824
ChEMBL
CHEMBL582
ZINC
ZINC000000901159
PharmGKB
PA450117
PDBe Ligand
IPA
Wikipedia
Isopropyl_alcohol
PDB Entries
1ak9 / 1am7 / 1aqn / 1asw / 1au9 / 1bnd / 1bw9 / 1c1d / 1c1x / 1ci8
show 735 more
MSDS
Download (51.8 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Active Not RecruitingTreatmentClosed Lower Extremity Fracture / Fracture of Pelvis (Disorder) / Open Appendicular Fracture / Surgical Site Infections / Unplanned Fracture-Related Reoperation1
4Active Not RecruitingTreatmentPsoriasis / Psoriasis Vulgaris (Plaque Psoriasis)1
4CompletedNot AvailableAntimicrobial Effectiveness1
4CompletedNot AvailableHealthy Volunteers (HV)1
4CompletedNot AvailableHip Arthroplasty1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
  • B. Braun Melsungen AG
  • Derm Buro Inc.
  • Medical Components Inc.
  • Medical Techniques LLC
  • Smiths Medical ASD Inc.
Dosage Forms
FormRouteStrength
ClothTopical2.82 kg/10001
ClothTopical2825 g/10001
LiquidTopical70 mL/70mL
ClothTopical0.594 kg/2001
ClothTopical1130 g/4001
KitTopical0.7 mL/1mL
Cream; kit; swabTopical
KitRespiratory (inhalation); Topical
Cream; kit; liquid; ointment; swabOphthalmic; Topical
Gel; kit; liquid; swabTopical
Cream; kit; liquid; ointment; swabTopical
Kit; swabTopical0.7 mL/1mL
KitOphthalmic; Oral; Respiratory (inhalation); Topical
Cream; kit; liquid; ointment; swab; tabletOphthalmic; Oral; Topical
Kit; liquid; ointment; spray; swab; tabletOphthalmic; Oral; Topical
Kit; liquid; lozenge; ointment; spray; swab; tabletOphthalmic; Oral; Topical
Gel; kit; liquid; ointment; swabOphthalmic; Topical
KitOphthalmic; Respiratory (inhalation); Topical
Cream; inhalant; kit; swab; tabletOral; Respiratory (inhalation); Topical
KitOral; Respiratory (inhalation); Topical
Gel; kit; swabTopical
Cream; kit; liquid; swabOphthalmic; Topical
Inhalant; kit; liquid; ointment; spray; swabOphthalmic; Respiratory (inhalation); Topical
Cream; kit; liquid; ointment; swab; tabletOral; Topical
Inhalant; kit; liquid; ointment; spray; swab; tabletOphthalmic; Oral; Respiratory (inhalation); Topical
Cream; kit; ointment; swabTopical
Kit; liquid; ointment; swab; tabletOphthalmic; Oral; Topical
Gel; kit; liquid; ointment; solution; swabOphthalmic; Topical
Kit; liquid; ointment; swabTopical
Gel; kit; liquid; swabOphthalmic; Topical
Kit; liquid; swabOphthalmic; Topical
Kit; liquid; ointment; spray; swabOphthalmic; Topical
Kit; liquid; ointment; swabOphthalmic; Topical
Kit; liquid; ointment; swab; tabletOral; Topical
Cream; gel; kit; liquid; ointment; spray; swabOphthalmic; Topical
Cream; kit; liquid; ointment; spray; swabOphthalmic; Topical
Gel; kit; liquid; ointment; swab; tabletOral; Topical
KitIrrigation; Ophthalmic; Respiratory (inhalation); Topical
Cream; irrigant; kit; liquid; ointment; swabIrrigation; Ophthalmic; Topical
Irrigant; kit; liquid; swabIrrigation; Ophthalmic; Topical
KitIrrigation; Oral; Respiratory (inhalation); Topical
KitIrrigation; Ophthalmic; Oral; Respiratory (inhalation); Topical
SolutionTopical500 mg/1mL
ClothTopical1.07 mL/1
LiquidTopical70 g/100mL
SprayTopical700 mg/1mL
SolutionTopical1 mL/700mg
SolutionTopical44.4 mL/60mL
ClothTopical3.15 mL/1
SolutionTopical999 mL/1000mL
CreamTopical
Injection, solution; kitInfiltration; Intramuscular; Intravenous; Perineural; Topical
Injection, solution; kitInfiltration; Intramuscular; Perineural; Topical
Injection, solution; kitIntramuscular; Intravenous; Topical
ClothTopical1 mL/100mL
SprayTopical0.6 mL/1mL
KitIntramuscular; Intraocular; Subcutaneous
LotionTopical0.7575 g/1mL
SolutionTopical70 mL/100mL
LiquidTopical62.0 %
GelTopical62 mL/100mL
LiquidTopical0.99 mL/1mL
LiquidTopical60 mg/1mL
PatchTopical700 mg/1g
SwabTopical.70 g/1g
SwabTopical7 mL/10mL
SolutionTopical70.7 mL
ClothTopical70 g/100g
SwabTopical700 mg/1g
GelTopical700 mL/1000mL
SwabTopical0.7 1/1
SwabTopical0.70 mL/1
SwabTopical70 mL/1
ClothTopical0.7 mL/0.7mL
ClothTopical700 mg/1mL
SwabTopical70 1/1
ClothTopical0.70 mL/1mL
ClothTopical70 g/1001
LiquidTopical70 mL/100mL
SpongeTopical7 mL/10mL
SwabTopical.70 mg/1mg
SwabTopical0.28 mL/0.4mL
SwabTopical0.56 mL/0.8mL
SwabTopical0.7 mL/1mL
SwabTopical0.7 mL/1
SwabTopical0.8 g/0.8g
SwabTopical700 mg/1
SwabTopical8 g/1
SwabTopical
ClothTopical70 mg/1
SwabExtracorporeal; Topical75 g/100g
LiquidTopical70 g/100g
ClothTopical0.7 mL/1g
LiquidTopical70 %
SwabTopical1.4 mL/1
SwabTopical70 mL/1g
SwabTopical.70 mL/1
SwabTopical0.70 g/1mL
ClothExtracorporeal720 mL/2001
GelTopical70 %
LotionTopical70 %
LiquidTopical21 mL / 30 mL
LotionTopical75 mL/100mL
LiquidTopical76 mL/100mL
LiquidTopical760 g/1000mL
SprayTopical700 mg/1000mL
JellyTopical50 %
Injection, emulsion; kitIntravenous; Topical
GelTopical2142.88 g/3380.08g
ClothTopical1.4798 g/1.4798g
LiquidTopical0.56118 g/1mL
LiquidTopical715 mL/1L
LiquidTopical7000 L/10000L
LiquidTopical8000 L/10000L
GelTopical70 mL/100mL
SprayTopical80 mL/100mL
Solution / dropsAuricular (otic)
KitTopical70 mL/100mL
GelTopical43 mL/60mL
PatchTopical.70 mL/1mL
GelTopical70 L/1L
KitIntramuscular
SprayTopical70 mL/60mL
Injection, solution; kitIntramuscular; Topical
GelTopical100 mL/100mL
SolutionTopical2076.54 g/3292.22g
LiquidTopical30 mg/30mL
SwabTopical70 %
Injection, powder, lyophilized, for solution; kitIntravenous; Topical
KitInfiltration; Intra-articular; Intralesional; Intramuscular; Perineural; Topical
GelTopical0.07 mL/1mL
SprayTopical0.75 mL/1mL
LiquidTopical0.7 L/1L
KitEpidural; Infiltration; Topical
GelTopical754 mL/1000mL
Solution, gel forming, extended releaseTopical
Cloth; injection, solution; kit; solutionEpidural; Infiltration; Intra-articular; Intramuscular; Topical
KitElectro-osmosis
LiquidTopical60 %
LiquidTopical63 %
GelTopical94.8 mL/99mL
Cloth; kit; ointment; swabTopical
GelTopical2.8 L/4L
LiquidTopical0.754 L/1L
GelTopical60 mL/100mL
GelTopical700 mg/1mL
SprayTopical42 mL/1
GelTopical0.8 L/1L
GelTopical0.7 L/1L
SprayTopical45 mL/60mL
GelExtracorporeal
GelTopical70 um/60mL
LiquidTopical70 mg/100mg
Injection, solution; injection, suspension; kitEpidural; Intra-articular; Intracaudal; Intramuscular; Intravenous; Perineural; Topical
GelTopical75 L/100L
LiquidTopical0.75 mL/1mL
LiquidTopical91 mL/100mL
LiquidAuricular (otic)950 mg/1mL
ClothTopical0.7 g/1g
KitOral
PatchTopical70 mL/100mL
SwabOral
Injection, solution; kit; solutionEpidural; Infiltration; Intracaudal; Perineural; Topical
LiquidAuricular (otic)95 mL/100mL
SprayTopical91 mL/100mL
SwabTopical70 g/100g
SolutionCutaneous
KitInfiltration; Intramuscular; Intravenous; Topical
KitEpidural; Infiltration; Intramuscular; Intravenous; Topical
LiquidExtracorporeal
LiquidTopical50 mL/100mL
KitIntramuscular; Intravenous; Topical
SolutionTopical660 mL/943mL
LiquidAuricular (otic)0.76 g/1mL
SwabTopical0.7 g/1mL
ClothTopical70 %
KitIntra-articular; Intralesional; Intramuscular; Soft tissue; Topical
KitEpidural; Infiltration; Intra-articular; Intralesional; Intramuscular; Intravenous; Soft tissue; Subcutaneous; Topical
KitEpidural; Infiltration; Intra-articular; Intralesional; Intramuscular; Soft tissue; Topical
LiquidAuricular (otic)94.998 1/100mL
LiquidAuricular (otic)
LiquidAuricular (otic)94.998 g/100mL
LiquidAuricular (otic)95 g/100mL
SolutionTopical80 mL/100mL
GelTopical177.75 mL/237mL
SprayTopical177.75 mL/237mL
SwabTopical70 mL/1001
KitIntravenous
LiquidAuricular (otic)0.95 g/100g
GelTopical62 g/100mL
GelTopical65.5 g/100mL
SolutionTopical89.4 mL/100mL
Injection; kit; swabIntramuscular; Subcutaneous; Topical
KitIntramuscular; Subcutaneous
Injection; kitIntramuscular; Subcutaneous; Topical
LiquidTopical.70 L/100L
GelTopical73 mL/100mL
ClothTopical0.34 g/1
LiquidTopical0.72 mL/1mL
LiquidTopical2838 mL/3780mL
ClothTopical0.70 1/1
KitOphthalmic; Topical
Injection, solution; kitInfiltration; Perineural; Topical
Injection, solution; kitPerineural; Retrobulbar; Topical
LiquidTopical13 g/100g
Aerosol, foamTopical
SolutionTopical0.14 g/0.2mL
SolutionTopical1.4 g/2mL
LiquidTopical28.66 mL/29mL
PatchTopical70 g/100g
PatchTopical
SwabTopical75 g/100g
KitOral; Topical
Solution
SolutionTopical700 g/1000g
GelTopical70 L/100L
SolutionTopical75 mL/1L
SprayTopical75 L/100L
GelTopical0.64 mL/1mL
LiquidTopical500 mg/1mL
LiquidTopical910 mg/1mL
KitOphthalmic; Oral; Topical
SwabTopical0.07 mL/1mL
SprayTopical0.7 mL/1mL
LiquidTopical187.5 mL/250mL
GelTopical2839 mL/3785mL
LiquidTopical2839 mL/3785mL
ClothTopical0.45 1/1
LiquidTopical350 g/100g
Injection, solution; injection, suspension; kitInfiltration; Intra-articular; Intralesional; Intramuscular; Perineural; Topical
GelTopical42 mL/60mL
GelTopical0.722 mL/1mL
SprayTopical0.67 mL/50mL
AerosolTopical75 mL/100mL
Aerosol, sprayTopical75 mL/100mL
ClothTopical0.85 1/1
ClothTopical75 mL/100mL
GelExtracorporeal70 mL/100mL
GelTopical0.705 mL/1mL
GelTopical0.75 mL/1mL
GelTopical14 mL/20mL
GelTopical175 mL/250mL
GelTopical21 mL/30mL
GelTopical2800 mL/4000mL
GelTopical350 mL/500mL
GelTopical375 mL/500mL
GelTopical42 mL/100mL
GelTopical450 mL/450mL
GelTopical64 mL/100mL
GelTopical70 mL/70mL
GelTopical70.1 mL/70.1mL
GelTopical70.264 mL/100mL
GelTopical70.92 mL/100mL
GelTopical71 mL/100mL
GelTopical71.7 mL/100mL
GelTopical75.59 mL/100mL
GelTopical75.69 mL/100mL
GelTopical80 mL/100mL
GelTopical87.5 mL/125mL
Gel, meteredTopical75 mL/100mL
LiquidCutaneous75 mL/100mL
LiquidCutaneous; Topical75 mL/100mL
LiquidTopical1.325 L/1.893L
LiquidTopical14195.29 mL/18927.05mL
LiquidTopical148.38 L/197.84L
LiquidTopical156148.16 mL/208197.55mL
LiquidTopical2.835 L/3.78L
LiquidTopical27 mL/29mL
LiquidTopical2838 mL/3784mL
LiquidTopical2839.06 mL/3785.42mL
LiquidTopical2855.7 mL/3800mL
LiquidTopical3 L/4L
LiquidTopical3000 mL/4000mL
LiquidTopical3085.3 mL/3800mL
LiquidTopical3742.2 mL/3780mL
LiquidTopical375 mL/500mL
LiquidTopical7.5 L/10L
LiquidTopical70 1/1001
LiquidTopical70.929 mL/100mL
LiquidTopical72 mL/100mL
LiquidTopical75 mL/200mL
LiquidTopical75.15 mL/100mL
LiquidTopical750 mL/1000mL
LiquidTopical750 mL/1L
LiquidTopical80 mL/100mL
LiquidTopical99 mL/99mL
Lotion, augmentedTopical75 mL/100mL
OintmentTopical75 mL/100mL
SolutionTopical2.835 L/3.78L
SolutionTopical3.75 L/5L
SolutionTopical375 mL/500mL
SolutionTopical75 L/3.785L
SolutionTopical75 L/100L
SolutionTopical75 mL/75mL
SolutionTopical75.6818 mL/100mL
SolutionTopical7576 mL/10000mL
Solution, concentrateTopical99 mL/100mL
Solution, gel forming / dropsCutaneous; Topical75 mL/100mL
SprayTopical
SprayTopical100 mL/100mL
SprayTopical150 mL/200mL
SprayTopical37.5 mL/50mL
SprayTopical41.3 mL/59mL
SprayTopical6.75 mL/9mL
SprayTopical67 mL/100mL
SprayTopical72 g/100g
SprayTopical75 kg/100kg
SprayTopical81.75 mL/109mL
Spray, suspensionTopical75 mL/100mL
GelExtracorporeal; Topical75 L/100L
GelExtracorporeal; Topical75 mL/100mL
Aerosol, foamTopical75 mL/100mL
GelTopical0.7 mL/1mL
SolutionTopical0.75 kg/1kg
GelTopical0.73 mL/1mL
SolutionTopical0.75 mL/1mL
LiquidTopical60.67 mL/100mL
SwabTopical67 mL/1001
ClothTopical3.3 mL/1
ClothTopical70 1/1001
LiquidTopical0.75 L/1L
SolutionTopical1 mL/1mL
LiquidTopical80 g/100g
GelTopical75 mL/100mL
GelTopical62.09 mL/88.7mL
LiquidTopical700 mg/1mL
Injection, suspension; kitSubcutaneous; Topical
LiquidCutaneous750 mL/1L
GelTopical70.0 1/100L
GelTopical75.0 L/100L
LiquidTopical70.0 L/100L
LiquidTopical75.0 L/100L
LiquidTopical75.0249 L/100L
LiquidTopical80.0992 L/100L
LiquidTopical80.1003 L/100L
LiquidTopical80.0691 L/100L
LiquidTopical75.0271 L/100L
GelTopical75.0128 L/100L
GelTopical80.0836 L/100L
GelTopical80.0847 L/100L
LiquidTopical80.087 L/100L
GelTopical75.015 L/100L
ClothTopical70 mL/100g
KitEpidural; Infiltration; Intra-articular; Topical
SolutionTopical0.57 1/1
LiquidTopical; Vaginal
LiquidTopical83 mL/100mL
LiquidTopical83 mL/100g
SwabTopical0.7 g/1
SwabCutaneous; Topical75 mL/100mL
SwabTopical75 mL/100mL
Solution / dropsTopical0.95 g/100mL
GelTopical72 mL/100mL
GelTopical73.71 mL/100mL
GelCutaneous73 mL/100mL
SprayTopical70 mL/100mL
LiquidTopical0.50 mL/1mL
LiquidTopical924 mg/1mL
SolutionTopical462 mg/1mL
ClothTopical2.97 g/1
GelTopical75.8 mL/100mL
LiquidTopical.91 L/100L
LiquidTopical.91 mg/1mL
LiquidTopical0.70 mg/1mL
LiquidTopical0.91 mg/1mL
LiquidTopical175 mL/350mL
LiquidTopical350 mL/500mL
LiquidTopical613 mg/1mL
LiquidTopical700 mL/1L
LiquidTopical91 mg/1mL
SolutionTopical0.105 mL/0.15mL
SolutionTopical30 mg/1mL
SolutionTopical75 mL/60mL
SolutionTopical750 g/1kg
SolutionTopical91 mL/100mL
SprayTopical550.2 g/1L
SprayTopical700 mL/1L
SwabTopical.7 mL/1
SwabTopical0.75 g/1
ClothTopical7.5 mL/1
LiquidTopical0.91 mL/1mL
LiquidTopical990 mg/100mL
LiquidTopical990 mg/1mL
SoapTopical75 mL/100mL
SolutionTopical37.88 mL/50mL
SprayTopical750 mL/1L
ClothTopical700 mg/1g
LiquidTopical75 L/100L
LiquidTopical99 %
SolutionTopical.70 mL/1mL
SpongeTopical0.07 mL/1mL
LiquidTopical0.7 mL/1mL
LiquidTopical.7 mL/1mL
ClothExtracorporeal
ClothTopical2.8 mL/1
ClothTopical3.75 mL/1
ClothTopical4.2 mL/1
SolutionTopical50 mL/100mL
LiquidCutaneous350 mL/500mL
SolutionTopical0.7 L/1L
SolutionTopical700 mg/1mL
GelTopical99 mL/100mL
LiquidTopical30 mg/1mL
LiquidTopical700 mg/100mL
LiquidExtracorporeal187.5 mL/250mL
SolutionTopical0.7 mL/1mL
SolutionTopical90 mL/100mL
LiquidTopical99 mL/100mL
SwabTopical70 mL/100mL
GelTopical65 mL/100mL
ClothCutaneous; Topical
SwabCutaneous; Topical70 mL/100mL
ClothTopical0.25 g/1
SprayTopical75 mL/100mL
SprayTopical1 mL/1mL
Cloth; cream; gel; kit; ointment; solutionOphthalmic; Topical
KitOphthalmic
SolutionTopical700 g/1L
SprayTopical15 g/100g
Injection, solution; kitSubcutaneous; Topical
Injection, solution; kit; swabSubcutaneous; Topical
KitSubcutaneous
KitSubcutaneous; Topical
Injection; kitParenteral; Topical
LiquidTopical65 mL/100mL
Injection, solution; kit; solutionIntravenous; Topical
GelCutaneous
LiquidTopical
KitEpidural; Infiltration; Intra-articular; Intramuscular; Topical
Injection, powder, lyophilized, for suspension; kit; tabletIntramuscular; Oral; Topical
Injection, powder, lyophilized, for suspension; kitIntramuscular; Topical
SprayTopical95.07 mL/100mL
SalveTopical0.25 mL/120mL
LiquidTopical10 g/100g
KitEpidural; Infiltration; Intra-articular; Intralesional; Intramuscular; Topical
SwabTopical0.70 mL/1mL
SprayTopical44.69 mL/59mL
ClothTopical70 mL/100mL
ClothTopical0.7 mL/1
ClothTopical0.7 g/1
GelTopical56.8 mL/71mL
LiquidTopical630 mg/1g
LiquidTopical700 mL/1000mL
KitInfiltration; Intra-articular; Intralesional; Intramuscular; Soft tissue; Topical
LiquidTopical97.79 %
Solution / dropsAuricular (otic)950 mg/1mL
LiquidTopical71 mL/100mL
Injection, solution; kitEpidural; Intracaudal; Intramuscular; Intravenous; Perineural; Topical
Aerosol, sprayTopical
LiquidExtracorporeal; Topical75 mL/100mL
SwabTopical0.8 g/1
SwabTopical1.59 g/1
LiquidTopical75.17 mL/100mL
GelTopical7.5 mL/1
GelTopical74 mL/100mL
SolutionAuricular (otic)0.95 g/1mL
Injection, solution; injection, suspension; kitInfiltration; Intra-articular; Intramuscular; Perineural; Topical
StickTopical70 %
LiquidTopical88.5 mL/118mL
Injection, solution; kit; solutionEpidural; Infiltration; Intracaudal; Intravenous; Perineural; Topical
Injection, suspension; kit; solutionIntra-articular; Intralesional; Intramuscular; Soft tissue; Topical
Injection, solution; injection, suspension; kit; solutionEpidural; Infiltration; Intra-articular; Intracaudal; Intralesional; Intramuscular; Intravenous; Perineural; Soft tissue; Topical
Injection, suspension; kit; solutionIntra-articular; Intramuscular; Topical
Injection, solution; injection, suspension; kit; solutionEpidural; Infiltration; Intra-articular; Intracaudal; Intramuscular; Intravenous; Perineural; Topical
Injection; injection, solution; kit; solutionEpidural; Intracaudal; Intravenous; Perineural; Topical
Injection, solution; kit; solutionEpidural; Intracaudal; Intravenous; Perineural; Topical
SolutionTopical77.6 L/100L
LiquidTopical1 mL/1
KitIntramuscular; Subcutaneous; Topical
KitInfiltration; Soft tissue; Topical
KitEpidural; Infiltration; Intracaudal; Perineural
KitEpidural; Infiltration; Intracaudal
LiquidTopical2.846 L/3.785L
SolutionTopical2.839 L/3.785L
SwabTopical700 mg/1mL
LiquidTopical75 mL/100mL
ClothTopical0.75 1/1
ClothTopical75 1/1001
SolutionTopical305.9 mL/437mL
GelTopical49 %
GelTopical
ClothTopical75 mL/1001
GelTopical70 g/100g
SpongeTopical
SprayTopical42 g/56g
Cloth; kit; sprayTopical
SprayTopical21.1 mL/30mL
Solution
LiquidTopical0.45 mg/1g
SolutionTopical99 mL/100mL
ClothCutaneous; Topical72.5 mg/100mg
SwabTopical0.7 mL/1g
SolutionTopical75 mL/100mL
LiquidTopical75 mL/75mL
GelTopical72 mg/100mL
SprayTopical72 mg/100mL
LiquidTopical72 L/100L
ClothTopical75 mL/100g
ClothTopical0.7 U/1U
GelTopical750 L/1000L
LiquidTopical750 L/1000L
Solution / dropsTopical75 mL/100mL
LiquidNasal70 mL/100g
GelTopical75 mL/75mL
ClothTopical150 mL/501
GelTopical0.72 L/1L
ClothTopical1 mL/1
ClothTopical75 g/100g
ClothTopical70 mL/1001
ClothTopical0.75 mL/1g
ClothTopical3 mL/1
LiquidTopical0.7515 mL/1mL
SolutionTopical1.75 mL/25mL
SoapTopical
GelTopical700 g/1kg
ClothTopical0.75 mL/1mL
SolutionTopical70 L/100L
GelTopical700 mL/1L
ClothTopical0.7 mL/1mL
CreamTopical70 mL/100mL
Solution; spongeTopical
LiquidExtracorporeal180 mL/240mL
LiquidExtracorporeal225 mL/300mL
LiquidExtracorporeal37.5 mL/50mL
LiquidExtracorporeal375 mL/500mL
LiquidExtracorporeal3750 mL/5000mL
LiquidExtracorporeal45 mL/60mL
LiquidExtracorporeal75 mL/100mL
LiquidExtracorporeal750 mL/1000mL
LiquidExtracorporeal90 mL/120mL
SolutionTopical75 L/100mL
PatchTopical0.7 mL/1mL
LiquidTopical0.8 g/1mL
SolutionTopical
LiquidTopical70 L/100L
LiquidTopical95 mL / 100 mL
GelTopical63 g
StickTopical70 1/1001
SolutionAuricular (otic)950 mg/1mL
Injection; kitIntramuscular; Topical
LotionTopical70 mL/100mL
KitTopical
LiquidTopical70.14 g/100mL
SolutionTopical0.13 g/1mL
KitIntravenous; Topical
LiquidTopical0.7 mL/0.7mL
ClothExtracorporeal75 mL/100mL
LiquidTopical99.9 mL/100mL
GelTopical17.4585 g/29.6mL
LiquidTopical90 mL/100mL
ClothTopical
SolutionTopical165.9 mL/237mL
SolutionTopical1.155 mL/1
GelTopical65 %
ClothTopical80.0852 L/100L
SolutionTopical336 mL/480mL
GelTopical74 L/100L
SolutionTopical0.28 mL/1
LiquidTopical63 mL/100mL
LiquidTopical0.7 mL/1
SpongeTopical.7 mL/.7mL
SpongeTopical.7 1/.7mL
Kit; patch; swabTopical
ClothTopical55 1/1001
SpongeTopical0.7 mL/0.7mL
Solution77.77 ml/100ml
Solution70 ml/100ml
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US6036976No2000-03-142016-12-13US flag
US7422388No2008-09-092027-04-25US flag
US6536975No2003-03-252020-11-10US flag
US6729786No2004-05-042023-03-14US flag
US7241065No2007-07-102023-03-14US flag
US5690958No1997-11-252016-09-30US flag
US6991394No2006-01-312024-01-31US flag
US7182536No2007-02-272023-12-30US flag
US5538353No1996-07-232015-08-25US flag
US5772346No1998-06-302017-04-22US flag
USD468424No2003-01-072017-01-07US flag
US9295657No2016-03-292035-03-13US flag
US9119876No2015-09-012035-03-13US flag
US8623935No2014-01-072029-07-26US flag
US9629368No2017-04-252028-05-23US flag
US9844654No2017-12-192036-04-24US flag
US10688291No2020-06-232034-12-20US flag
US8389583No2013-03-052029-08-09US flag
US8703828No2014-04-222028-05-23US flag
US8226971No2012-07-242025-05-06US flag
US9011897No2015-04-212025-02-08US flag

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)-89.5 °CPhysProp
boiling point (°C)82.3 °CPhysProp
water solubility1E+006 mg/L (at 25 °C)RIDDICK,JA ET AL. (1986)
logP0.05HANSCH,C ET AL. (1995)
pKa17.1SERJEANT,EP & DEMPSEY,B (1979)
Predicted Properties
PropertyValueSource
Water Solubility378.0 mg/mLALOGPS
logP0.04ALOGPS
logP0.25Chemaxon
logS0.8ALOGPS
pKa (Strongest Acidic)17.26Chemaxon
pKa (Strongest Basic)-1.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity17.43 m3·mol-1Chemaxon
Polarizability7.14 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9905
Blood Brain Barrier+0.9694
Caco-2 permeable+0.7135
P-glycoprotein substrateNon-substrate0.8146
P-glycoprotein inhibitor INon-inhibitor0.9609
P-glycoprotein inhibitor IINon-inhibitor0.9785
Renal organic cation transporterNon-inhibitor0.932
CYP450 2C9 substrateNon-substrate0.8061
CYP450 2D6 substrateNon-substrate0.8916
CYP450 3A4 substrateNon-substrate0.7103
CYP450 1A2 substrateNon-inhibitor0.8634
CYP450 2C9 inhibitorNon-inhibitor0.9466
CYP450 2D6 inhibitorNon-inhibitor0.9581
CYP450 2C19 inhibitorNon-inhibitor0.9267
CYP450 3A4 inhibitorNon-inhibitor0.9764
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.949
Ames testNon AMES toxic0.9246
CarcinogenicityCarcinogens 0.7397
BiodegradationReady biodegradable0.7608
Rat acute toxicity1.3372 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9583
hERG inhibition (predictor II)Non-inhibitor0.9457
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Download (3.84 KB)
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9000000000-026d02184beec46b90cc
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-b56f808ef55c854e8324
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-f68d78a99d0ee77081c8
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-a1c27780d39325f67c84
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-40a45591af6378500aeb
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-2261ea7d03d835d46644
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-3c81c56ab53eb5aaa2ec
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-7936ed4d93d5699b0366
Mass Spectrum (Electron Ionization)MSsplash10-0002-9000000000-8f0393a68e54e5668638
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-03di-9000000000-958007b112253f530fa1
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-03dl-9000000000-eec0fd84c38e3cc2fb7d
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-03di-9000000000-e524005ac3e29f5e6e60
MS/MS Spectrum - EI-B (HITACHI RMU-6M) , PositiveLC-MS/MSsplash10-0002-9000000000-b56f808ef55c854e8324
MS/MS Spectrum - EI-B (JEOL JMS-D-3000) , PositiveLC-MS/MSsplash10-0002-9000000000-2261ea7d03d835d46644
MS/MS Spectrum - EI-B (HITACHI M-80B) , PositiveLC-MS/MSsplash10-0002-9000000000-3c81c56ab53eb5aaa2ec
MS/MS Spectrum - EI-B (HITACHI RMU-7M) , PositiveLC-MS/MSsplash10-0002-9000000000-7936ed4d93d5699b0366
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ae77f112ba64633521f2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-067e5bcfc9f5041cb072
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-a9be6423c5a4db35c6a3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-953e27086fd48e74fbac
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-f97fc0276c287c5bbd49
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-9af9daa2cefa4aca1d0a
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-98.2168216
predicted
DarkChem Lite v0.1.0
[M-H]-98.2450216
predicted
DarkChem Lite v0.1.0
[M-H]-98.1942216
predicted
DarkChem Lite v0.1.0
[M-H]-98.2359216
predicted
DarkChem Lite v0.1.0
[M-H]-120.13784
predicted
DeepCCS 1.0 (2019)
[M+H]+99.0474216
predicted
DarkChem Lite v0.1.0
[M+H]+99.2250216
predicted
DarkChem Lite v0.1.0
[M+H]+99.0675216
predicted
DarkChem Lite v0.1.0
[M+H]+99.2683216
predicted
DarkChem Lite v0.1.0
[M+H]+122.03325
predicted
DeepCCS 1.0 (2019)
[M+Na]+98.3364216
predicted
DarkChem Lite v0.1.0
[M+Na]+98.3669216
predicted
DarkChem Lite v0.1.0
[M+Na]+98.4543216
predicted
DarkChem Lite v0.1.0
[M+Na]+130.1671
predicted
DeepCCS 1.0 (2019)

Drug created at June 13, 2005 13:24 / Updated at March 18, 2024 16:48