Isopropyl alcohol

Identification

Name
Isopropyl alcohol
Accession Number
DB02325
Description

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
Thumb
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
Associated Conditions
Associated Therapies
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
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
Learn about our commercial Adverse Effects data.
Learn More
Toxicity
Not Available
Affected organisms
  • Humans and other mammals
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

International/Other Brands
Isopro
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
1000 Wet WipesCloth2825 g/10001TopicalJIANGSU MEIFAN BIOTECHNOLOGY CO., LTD.2020-07-22Not applicableUs
108 Hand SanitizerLiquid75 mL/100mLTopicalJAMESTOWN PAINT COMPANY2020-03-30Not applicableUs
2 in 1 Hand Sanitizer/DisinfectantLiquid70 mL/100mLTopicalRocky Research2020-05-25Not applicableUs
400 Wet WipesCloth75 mL/100mLTopicalD D Office Products, Inc.2020-07-15Not applicableUs
400 Wet WipesCloth1130 g/4001TopicalJIANGSU MEIFAN BIOTECHNOLOGY CO., LTD.2020-07-22Not applicableUs
4072First Aid KitKit0.7 mL/1mLTopicalHoneywell Safety Products USA, Inc2018-11-06Not applicableUs
4183 First Aid KitKit0.7 mL/1mLTopicalHoneywell Safety Products USA, Inc2018-11-24Not applicableUs
50 percent Isopropyl alcoholLiquid50 mL/100mLTopicalWhole Foods Market2017-05-31Not applicableUs
50% Isopropyl AlcoholSolution500 mg/1mLTopicalWal-Mart Stores, Inc.2019-03-08Not applicableUs
50% Isopropyl Rubbing AlcoholLiquid50 mL/100mLTopicalAmerincan Health Packaging2017-07-15Not applicableUs
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

    Learn more
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
3M DuraPrep SurgicalIsopropyl alcohol (636.4 mg/1mL) + Iodine povacrylex (6.02 mg/1mL)SolutionTopical3M Health Care2006-09-29Not applicableUs
3M SoluPrepIsopropyl alcohol (0.7 mL/1mL) + Chlorhexidine gluconate (20 mg/1mL)SolutionTopical3M Company2018-10-08Not applicableUs
3M SoluPrepIsopropyl alcohol (0.7 mL/1mL) + Chlorhexidine gluconate (20 mg/1mL)SolutionTopical3M Company2018-10-08Not applicableUs
3m Soluprep SpongeIsopropyl alcohol (70 %) + Chlorhexidine gluconate (2 %)SpongeTopical3 M Pharmaceuticals2013-09-11Not applicableCanada
4047 Fist Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL)TopicalHoneywell Safety Products USA, Inc2018-11-242019-10-18Us
4048 Fist Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL)TopicalHoneywell Safety Products USA, Inc2018-11-242019-10-18Us
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)TopicalHoneywell Safety Products USA, Inc2018-11-212019-10-18Us
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)TopicalHoneywell Safety Products USA, Inc2018-11-212019-10-18Us
4078 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Benzalkonium chloride (0.13 g/100g) + Lidocaine hydrochloride (0.5 g/100g) + Povidone-iodine (10 mg/1mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
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)TopicalHoneywell Safety Products USA, Inc2018-11-242019-10-18Us
4048 Fist Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL)TopicalHoneywell Safety Products USA, Inc2018-11-242019-10-18Us
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)TopicalHoneywell Safety Products USA, Inc2018-11-212019-10-18Us
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)TopicalHoneywell Safety Products USA, Inc2018-11-212019-10-18Us
4072First Aid KitIsopropyl alcohol (0.7 mL/1mL)KitTopicalHoneywell Safety Products USA, Inc2018-11-06Not applicableUs
4078 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Benzalkonium chloride (0.13 g/100g) + Lidocaine hydrochloride (0.5 g/100g) + Povidone-iodine (10 mg/1mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4079 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Benzalkonium chloride (0.13 g/100g) + Lidocaine hydrochloride (0.5 g/100g) + Povidone-iodine (10 mg/1mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4125 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Levomenthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL)KitOphthalmic; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4129 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ammonia (0.045 g/0.3mL) + Benzalkonium chloride (1.3 mg/1mL) + Benzethonium chloride (0.2 g/100g) + Benzocaine (20 g/100g) + Ethanol (0.5 mL/1mL) + Hydrocortisone acetate (1 g/100g) + Hydrocortisone acetate (1 g/100g) + Lidocaine hydrochloride (20 mg/1mL) + Povidone-iodine (10 mg/1mL)KitRespiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4133 First Aid KitIsopropyl alcohol (0.7 mL/1mL) + Ammonia (0.045 g/0.3mL) + Ethanol (0.5 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Lidocaine hydrochloride (2 g/100g) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)KitOphthalmic; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs

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)

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
AHFS Codes
  • 84:04.92 — Miscellaneous Local Anti-infectives
PDB Entries
1ak9 / 1am7 / 1aqn / 1asw / 1au9 / 1bnd / 1bw9 / 1c1d / 1c1x / 1ci8
show 636 more
MSDS
Download (51.8 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Active Not RecruitingPreventionArrhythmia / Heart Failure1
4CompletedNot AvailableAntimicrobial Effectiveness2
4CompletedNot AvailableArthroplasty, Replacement, Hip1
4CompletedNot AvailableHealthy Volunteers1
4CompletedPreventionBacteremia1
4CompletedPreventionBacteremia / Bacterial Infections / Catheter-Associated Infections / Central Venous Catheterization1
4CompletedPreventionCerebral Vasospasm / Subarachnoid Hemorrhage1
4CompletedTreatmentDiabetic Foot Ulcers (DFU)1
4CompletedTreatmentGastritis Acute / Gastritis Chronic1
4CompletedTreatmentNausea1

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
ClothTopical2825 g/10001
ClothTopical1130 g/4001
KitTopical0.7 mL/1mL
KitRespiratory (inhalation); Topical
KitOphthalmic; Oral; Respiratory (inhalation); Topical
KitOphthalmic; Respiratory (inhalation); Topical
KitOral; Respiratory (inhalation); Topical
KitIrrigation; Ophthalmic; Respiratory (inhalation); Topical
KitIrrigation; Ophthalmic; Topical
SolutionTopical500 mg/1mL
SprayTopical700 mg/1mL
SolutionTopical0.7 mg/1mL
SolutionTopical44.4 mL/60mL
ClothTopical3.15 mL/1
CreamTopical
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
ClothTopical70 g/100g
SwabTopical700 mg/1g
GelTopical700 mL/1000mL
SwabTopical0.7 1/1
SwabTopical0.70 mL/1
ClothTopical0.7 mL/0.7mL
ClothTopical700 mg/1mL
SwabTopical70 1/1
LiquidTopical70 mL/100mL
SpongeTopical7 mL/10mL
SwabTopical.70 mg/1mg
SwabTopical0.28 mL/0.4mL
SwabTopical0.56 mL/0.8mL
SwabTopical0.7 mL/1
SwabTopical0.7 mL/1mL
SwabTopical700 mg/1
SwabTopical
ClothTopical70 mg/1
SwabExtracorporeal; Topical75 g/100g
LiquidTopical70 g/100g
LiquidTopical
SwabTopical1.4 mL/1
SwabTopical.70 mL/1
SwabTopical0.70 g/1mL
ClothExtracorporeal720 mL/2001
GelTopical
LotionTopical
LotionTopical75 mL/100mL
LiquidTopical76 mL/100mL
LiquidTopical760 g/1000mL
JellyTopical
GelTopical61.5 g/100g
LiquidTopical0.56118 g/1mL
LiquidTopical715 mL/1L
LiquidTopical7000 L/10000L
LiquidTopical8000 L/10000L
GelTopical70 mL/100mL
Solution / dropsAuricular (otic)
KitTopical70 mL/100mL
PatchTopical.70 mL/1mL
KitIntramuscular
SolutionTopical2076.54 g/3292.22g
LiquidTopical30 mg/30mL
KitInfiltration; Intra-articular; Intralesional; Intramuscular; Perineural; Topical
LiquidTopical0.7 L/1L
KitEpidural; Infiltration; Topical
Solution, gel forming, extended releaseTopical
KitElectro-osmosis
GelTopical94.8 mL/99mL
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
GelExtracorporeal
GelTopical70 um/60mL
LiquidTopical70 mg/100mg
GelTopical75 L/100L
LiquidTopical0.75 mL/1mL
LiquidTopical91 mL/100mL
LiquidAuricular (otic)950 mg/1mL
ClothTopical0.7 g/1g
KitOral
LiquidAuricular (otic)95 mL/100mL
SwabTopical70 g/100g
KitEpidural; Infiltration; Intramuscular; Intravenous; Topical
LiquidExtracorporeal
LiquidTopical50 mL/100mL
LiquidAuricular (otic)0.76 g/1mL
SwabTopical0.7 g/1mL
ClothTopical
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
GelTopical177.75 mL/237mL
SprayTopical177.75 mL/237mL
LiquidAuricular (otic)0.95 g/100g
GelTopical62 g/100mL
GelTopical65.5 g/100mL
SolutionTopical89.4 mL/100mL
LiquidTopical.70 L/100L
ClothTopical0.70 1/1
LiquidTopical13 g/100g
Aerosol, foamTopical
SolutionTopical0.14 g/0.2mL
SolutionTopical1.4 g/2mL
LiquidTopical28.66 mL/29mL
PatchTopical70 g/100g
PatchTopical
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
LiquidTopical350 g/100g
GelTopical42 mL/60mL
SprayTopical0.67 mL/50mL
AerosolTopical75 mL/100mL
Aerosol, sprayTopical75 mL/100mL
ClothTopical0.85 1/1
ClothTopical36000 cm2/48000cm2
ClothTopical75 mL/100mL
GelExtracorporeal70 mL/100mL
GelTopical0.75 mL/1mL
GelTopical14 mL/20mL
GelTopical175 mL/250mL
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
GelTopical71 mL/100mL
GelTopical75.59 mL/100mL
GelTopical75.69 mL/100mL
GelTopical80 mL/100mL
GelTopical87.5 mL/125mL
LiquidCutaneous75 mL/100mL
LiquidOral; 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
LiquidTopical375 mL/500mL
LiquidTopical7.5 L/10L
LiquidTopical75 mL/200mL
LiquidTopical75.15 mL/100mL
LiquidTopical750 mL/1L
LiquidTopical750 mL/1000mL
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/100L
SolutionTopical75 mL/75mL
SolutionTopical75 L/3.785L
SolutionTopical75.6818 mL/100mL
SolutionTopical7576 mL/10000mL
Solution, gel forming / dropsCutaneous; Topical75 mL/100mL
SprayTopical
SprayTopical41.3 mL/59mL
SprayTopical72 g/100g
SprayTopical75 kg/100kg
SprayTopical81.75 mL/109mL
Spray, suspensionTopical75 mL/100mL
GelExtracorporeal; Topical75 L/100L
GelExtracorporeal; Topical75 mL/100mL
GelTopical73 mL/100mL
GelTopical0.7 mL/1mL
SolutionTopical0.75 kg/1kg
SolutionTopical0.75 mL/1mL
ClothTopical70 1/1001
LiquidTopical0.75 L/1L
SolutionTopical1 mL/1mL
LiquidTopical80 g/100g
GelTopical75 mL/100mL
GelTopical62.09 mL/88.7mL
LiquidTopical700 mg/1mL
LiquidCutaneous750 mL/1L
GelTopical70.0 1/100L
GelTopical75.0 L/100L
LiquidTopical70.0 L/100L
LiquidTopical75.0 L/100L
ClothTopical70 mL/100g
ClothTopical
SolutionTopical0.57 1/1
LiquidTopical; Vaginal
SwabTopical0.7 g/1
Solution / dropsTopical0.95 g/100mL
GelTopical72 mL/100mL
SprayTopical70 mL/100mL
LiquidTopical924 mg/1mL
SolutionTopical462 mg/1mL
GelTopical75.8 mL/100mL
LiquidTopical.91 L/100L
LiquidTopical.91 mg/1mL
LiquidTopical0.70 mg/1mL
LiquidTopical0.91 mg/1mL
LiquidTopical175 mL/350mL
LiquidTopical613 mg/1mL
LiquidTopical700 mL/1L
LiquidTopical91 kg/100L
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
LiquidTopical990 mg/100mL
LiquidTopical99 %
LiquidTopical990 mg/1mL
SoapTopical75 mL/100mL
SolutionTopical37.88 mL/50mL
SprayTopical750 mL/1L
SolutionTopical80 mL/100mL
LiquidTopical75 L/100L
SolutionTopical.70 mL/1mL
SpongeTopical0.07 mL/1mL
LiquidTopical0.7 mL/1mL
LiquidTopical.7 mL/1mL
ClothExtracorporeal
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
LiquidTopical70 %
SolutionTopical0.7 mL/1mL
SolutionTopical90 mL/100mL
LiquidTopical99 mL/100mL
SwabTopical70 mL/100mL
GelTopical65 mL/100mL
SwabCutaneous; Topical70 mL/100mL
SprayTopical75 mL/100mL
KitOphthalmic
KitOphthalmic; Topical
SprayTopical15 g/100g
KitSubcutaneous; Topical
LiquidTopical65 mL/100mL
KitEpidural; Infiltration; Intra-articular; Intramuscular; Topical
KitIntramuscular; Topical
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
LiquidTopical
LiquidTopical630 mg/1g
LiquidTopical700 mL/1000mL
KitInfiltration; Intra-articular; Intralesional; Intramuscular; Soft tissue; Topical
Aerosol, sprayTopical
GelTopical7.5 mL/1
GelTopical74 mL/100mL
SolutionAuricular (otic)0.95 g/1mL
StickTopical
LiquidTopical88.5 mL/118mL
SolutionTopical77.6 L/100L
LiquidTopical1 mL/1
KitInfiltration; Intramuscular
LiquidTopical2.846 L/3.785L
SwabTopical700 mg/1mL
LiquidTopical75 mL/100mL
KitOral; Topical
GelTopical
GelTopical70 g/100g
SpongeTopical
SprayTopical42 g/56g
SprayTopical21.1 mL/30mL
LiquidTopical0.45 mg/1g
SolutionTopical75 mL/100mL
LiquidTopical75 mL/75mL
LiquidTopical72 L/100L
Solution / dropsTopical75 mL/100mL
GelTopical75 mL/75mL
GelTopical0.72 L/1L
ClothTopical1 mL/1
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
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
StickTopical70 1/1001
SolutionAuricular (otic)950 mg/1mL
LotionTopical70 mL/100mL
KitTopical
LiquidTopical70.14 g/100mL
SolutionTopical0.13 g/1mL
KitIntravenous; Topical
KitIntramuscular; Intravenous; Topical
LiquidTopical0.7 mL/0.7mL
GelTopical17.4585 g/29.6mL
LiquidTopical90 mL/100mL
SolutionTopical1.155 mL/1
SolutionTopical0.28 mL/1
LiquidTopical63 mL/100mL
LiquidTopical0.7 mL/1
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US6036976No2000-03-142016-12-13Us
US7422388No2008-09-092027-04-25Us
US6536975No2003-03-252020-11-10Us
US6729786No2004-05-042023-03-14Us
US7241065No2007-07-102023-03-14Us
US5690958No1997-11-252016-09-30Us
US6991394No2006-01-312024-01-31Us
US7182536No2007-02-272023-12-30Us
US5538353No1996-07-232015-08-25Us
US5772346No1998-06-302017-04-22Us
USD468424No2003-01-072017-01-07Us
US9295657No2016-03-292035-03-13Us
US9119876No2015-09-012035-03-13Us
US8623935No2014-01-072029-07-26Us
Additional Data Available
  • Filed On
    Filed On

    The date on which a patent was filed with the relevant government.

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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-MSNot Available
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/MSsplash10-03di-9000000000-52e1a906e58615d920fd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-e66cba449fc3e39cabcb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-34d2b3ce7e4949d6207e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-06d1878fb0f08269b040
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-a3c0cec1f0523a5089d6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-b7cef7808f5c6bfd85c9
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Drug created on June 13, 2005 07:24 / Updated on August 05, 2020 23:35

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