Identification

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Name
Iodine
Accession Number
DB05382  (DB05247)
Type
Small Molecule
Groups
Approved, Investigational
Description

Molecualar iodine has been developed by Symbollon Pharmaceuticals. It is a potential treatment for moderate to severe cyclic pain and tenderness (clinical mastalgia) associated with fibrocystic breast disease (FBD).

Structure
Thumb
Synonyms
  • diiodine
  • I2
  • iodo
  • Jod
  • molecular iodine
External IDs
NSC-42355
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
EthiodolInjection475 mg/1mLIntralymphaticUNSPECIFIED2006-04-07Not applicableUs
Lugols SolutionLiquid0.4 g/1gTopicalGordon Laboratories2010-02-01Not applicableUs
Sky-Living Water MT Activition LiquidLiquid2.5 g/100mLOralWings Biomedical Technology Co., Ltd.2015-10-15Not 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.

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  • Product Code
    Product Code

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

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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Alphadine ScrubSolution7.5 mg/100mLTopicalEcolab Inc.2000-02-052018-01-17Us
Colloidal IodineSolution2 g/100mLTopicalJCI INSTITUTE OF MEDICAL SCIENCE2014-08-27Not applicableUs
Colloidal Iodine OphthalmicSolution0.1 g/100mLTopicalJCI INSTITUTE OF MEDICAL SCIENCE2014-08-27Not applicableUs
Colloidal IodineinjectionSolution2 g/100mLSubcutaneousJCI INSTITUTE OF MEDICAL SCIENCE2019-09-14Not applicableUs
Foam Care Pvp Iodophor Surg Hand Scrub 0.75%LiquidTopicalBallard Medical Products1990-12-312008-09-17Canada
Iodin Ration Tab 0.15mgTabletOralNion Corp1977-12-311999-06-26Canada
Iodine 0.150 mgTabletOralGreat Earth Companies, Inc.1998-09-252002-10-02Canada
Iodine SeppTincture20 mg/1mLTopicalCare Fusion 213 Llc1988-02-012016-11-06Us
Iodine Tab 3mgTabletOralTherapeutic Foods Co.1988-03-232009-07-24Canada
Iodine Tincture RojoSolution / drops20 mg/1mLTopicalDannso corp./d.b.a. Essential Products2015-08-08Not 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.

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Adult Formula 50+Iodine (0.15 mg) + Ascorbic acid (120 mg) + Beta carotene (3000 unit) + Biotin (30 mcg) + Calcium (220 mg) + Cholecalciferol (400 unit) + Chromium (10 mcg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic acid (0.4 mg) + Magnesium (100 mg) + Manganese (2.5 mg) + Molybdenum (10 mcg) + Nicotinamide (20 mg) + Calcium pantothenate (20 mg) + Potassium (37.5 mg) + Pyridoxine hydrochloride (6 mg) + Riboflavin (3.4 mg) + Selenium (10 mcg) + Thiamine hydrochloride (4.5 mg) + Vitamin A palmitate (3000 unit) + Zinc (15 mg) + alpha-Tocopherol acetate (60 unit)TabletOralWn Pharmaceuticals Ltd.2002-04-252009-09-28Canada
Alkadrenergy TabletsIodine (0.1 mg) + Ascorbic acid (60 mg) + Beta carotene (2500 unit) + Biotin (150 mcg) + Calcium (50 mg) + Choline (100 mg) + Chromic chloride (5 mcg) + Cyanocobalamin (45 mcg) + Folic acid (0.2 mg) + Inositol (25 mg) + Magnesium (50 mg) + Manganese (0.5 mg) + Molybdenum (3 mcg) + Nicotinamide (40 mg) + Pantothenic acid (15 mg) + Pyridoxine hydrochloride (6.25 mg) + Riboflavin (6.25 mg) + Sodium selenite (37.5 mcg) + Thiamine (6.25 mg) + Zinc (9 mg) + alpha-Tocopherol acetate (15 unit)TabletOralMorter HealthsystemNot applicableNot applicableCanada
Anaplex TabIodine (.05 mg) + Ascorbic acid (40 mg) + Calcium (160 mg) + Magnesium oxide (50 mg) + Nicotinamide (30 mg) + Calcium pantothenate (15 mg) + Phosphorus (75.33 mg) + Potassium chloride (20 mg) + Pyridoxine hydrochloride (40 mg) + Vitamin A palmitate (2000 unit) + Vitamin D (133.33 unit)TabletOralAnabolic Laboratories Inc.1975-12-311996-10-02Canada
B.E.T. ComplexIodine (0.15 mg) + Beta carotene (1250 unit) + Calcium ascorbate (75 mg) + Chromium (400 mcg) + Cyanocobalamin (100 mcg) + Folic acid (0.2 mg) + Magnesium (200 mg) + Manganese (5 mg) + Nicotinamide (35 mg) + Sodium metavanadate (75 mcg) + Ubidecarenone (10 mg) + Vitamin A palmitate (1250 unit) + alpha-Tocopherol succinate (50 unit)TabletOralAbundance Naturally Ltd2000-12-062004-06-30Canada
Blood Culture Prep KitIodine (20 mg/1mL) + Isopropyl alcohol (0.7 mL/1mL)KitTopicalCare Fusion 213 Llc1988-02-012016-07-25Us
Chela Iron Plus C,b ComplexIodine (100 mcg) + Calcium ascorbate (100 mg) + Copper (2 mg) + Cyanocobalamin (30 mcg) + Folic acid (.4 mg) + Iron (50 mg) + Manganese (2 mg) + Nicotinamide (15 mg) + Pantothenic acid (15 mg) + Pyridoxine hydrochloride (5 mg) + Riboflavin (2 mg) + Thiamine hydrochloride (5 mg)TabletOralNu Life Nutrition Ltd.1986-12-312000-03-03Canada
Chelamins Plus TabIodine (.15 mg) + Calcium (350 mg) + Chromium (50 mcg) + Copper (1.5 mg) + Iron (15 mg) + Magnesium (175 mg) + Manganese (5 mg) + Phosphorus (75 mg) + Potassium (47.5 mg) + Selenium (25 mcg) + Vitamin D (200 unit) + Zinc (11.25 mg)TabletOralNu Life Nutrition Ltd.1988-12-312000-03-03Canada
Children's Chew Multi & Min TabIodine (.075 mg) + Ascorbic acid (30 mg) + Beta carotene (1250 unit) + Biotin (75 mcg) + Calcium (100 mg) + Choline bitartrate (5 mg) + Copper (1 mg) + Cyanocobalamin (5 mcg) + DL-alpha tocopheryl acetate (15 unit) + Ferrous gluconate (2.5 mg) + Magnesium (25 mg) + Manganese (.5 mg) + Nicotinamide (10 mg) + Calcium pantothenate (6.25 mg) + Potassium (.5 mg) + Potassium chloride (5 mg) + Pyridoxine hydrochloride (1.25 mg) + Riboflavin (1.25 mg) + Thiamine hydrochloride (1.25 mg) + Vitamin A palmitate (1250 unit) + Vitamin D (200 unit) + Zinc (1.25 mg)TabletOralNatrol, Inc.1995-12-312001-07-30Canada
Childrens Chewab Vitamin W Chel MineralsIodine (1 mg) + Ascorbic acid (75 mg) + Biotin (50 mcg) + Cyanocobalamin (10 mcg) + D-alpha-Tocopherol acetate (25 unit) + Folic acid (10 mcg) + Iron (5 mg) + Nicotinamide (10 mg) + Pantothenic acid (10 mg) + Pyridoxine (5 mg) + Riboflavin (5 mg) + Thiamine (5 mg) + Vitamin A (5000 unit) + Vitamin D (400 unit)TabletOralAnabolic Laboratories Inc.1981-12-311996-10-02Canada
Classic Swiss One 10 Multivitamin and Mineral TabIodine (0.1 mg) + Ascorbic acid (100 mg) + Biotin (10 mcg) + Calcium (125 mg) + Choline bitartrate (15 mg) + Chromium (25 mcg) + Copper (2 mg) + Cyanocobalamin (10 mcg) + Folic acid (1 mg) + Inositol (15 mg) + Iron (18 mg) + Magnesium (100 mg) + Manganese (5 mg) + Nicotinamide (20 mg) + Calcium pantothenate (10 mg) + Potassium (10 mg) + Pyridoxine hydrochloride (10 mg) + Racemethionine (20 mg) + Riboflavin (10 mg) + Selenium (50 mcg) + Thiamine mononitrate (10 mg) + Vitamin A (10000 unit) + Vitamin D (400 unit) + Vitamin E (10 unit) + Zinc (15 mg)TabletOralSwiss Herbal Remedies Ltd.1999-12-062005-09-09Canada
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Bal-Care DHAIodine (.223 mg/1) + Ascorbic acid (120 mg/1) + Beta carotene (2850 [iU]/1) + Calcium carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (.012 mg/1) + DL-alpha tocopheryl acetate (3 mg/1) + Folic acid (1 mg/1) + Iron sucrose (1.35 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (430 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Sodium feredetate (25.65 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralPru Gen Pharmaceuticals2012-05-01Not applicableUs
Bal-Care DHA EssentialIodine (.223 mg/1) + Ascorbic acid (120 mg/1) + Beta carotene (2850 [iU]/1) + Calcium carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (.012 mg/1) + DL-alpha tocopheryl acetate (3 mg/1) + Folic acid (1 mg/1) + Iron sucrose (1.35 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (374 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Sodium feredetate (25.65 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralPru Gen Pharmaceuticals2012-05-01Not applicableUs
Cavan AlphaIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (3000 [iU]/1) + Calcium carbonate (230 mg/1) + Cholecalciferol (800 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + DL-alpha tocopheryl acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (27 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (300 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralSeton Pharmaceuticals2010-07-012013-09-30Us
CitraNatal AssureIodine (150 ug/1) + Ascorbic acid (120 mg/1) + Calcium citrate tetrahydrate (124 mg/1) + Cholecalciferol (400 [iU]/1) + Copper (2 mg/1) + Doconexent (300 mg/1) + Docusate sodium (50 mg/1) + Folic acid (1 mg/1) + Icosapent (0.75 mg/1) + Iron (35 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3.4 mg/1) + Thiamine chloride (3 mg/1) + Vitamin E (30 [iU]/1) + Zinc (25 mg/1)KitOralMission Pharmacal Company2014-04-30Not applicableUs
CitraNatal AssureIodine (150 ug/1) + Ascorbic acid (120 mg/1) + Calcium citrate tetrahydrate (125 mg/1) + Cholecalciferol (400 [iU]/1) + Copper (2 mg/1) + Doconexent (300 mg/1) + Docusate sodium (50 mg/1) + Folic acid (1 mg/1) + Icosapent (0.75 mg/1) + Iron (35 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3.4 mg/1) + Thiamine chloride (3 mg/1) + Vitamin E (30 [iU]/1) + Zinc (25 mg/1)KitOralMission Pharmacal2008-11-19Not applicableUs
Colloidal IodineinjectionIodine (2 g/100mL)SolutionSubcutaneousJCI INSTITUTE OF MEDICAL SCIENCE2019-09-14Not applicableUs
Duet DHAIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (2825 [iU]/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (800 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + D-alpha-Tocopherol acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (25 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (400 mg/1) + Pyridoxine hydrochloride (45 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralWh Nutritionals, Llc2011-09-092014-03-31Us
Duet DHAIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (2800 [iU]/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (820 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + D-alpha-Tocopherol acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (25 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (400 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralWh Nutritionals, Llc2011-09-092014-12-31Us
Duet DHAIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (2800 [iU]/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (820 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + D-alpha-Tocopherol acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (25 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (430 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralWh Nutritionals, Llc2011-09-092014-12-31Us
Duet DHAIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (2825 [iU]/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (800 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + D-alpha-Tocopherol acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (25 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (430 mg/1) + Pyridoxine hydrochloride (45 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralWh Nutritionals, Llc2011-09-092014-03-31Us
International/Other Brands
IoGen
Categories
UNII
9679TC07X4
CAS number
7553-56-2
Weight
Average: 253.8089
Monoisotopic: 253.80893684
Chemical Formula
I2
InChI Key
PNDPGZBMCMUPRI-UHFFFAOYSA-N
InChI
InChI=1S/I2/c1-2
IUPAC Name
diiodane
SMILES
II

Pharmacology

Indication

Investigated for use/treatment in breast disorders (unspecified) and pain (acute or chronic).

Pharmacodynamics
Not Available
Mechanism of action

Molecular iodine is known to inhibit the induction and promotion of N-methyl-n-nitrosourea-induced mammary carcinogenesis, to regress 7,12-dimethylbenz(a)anthracene-induced breast tumors in rats.It has also been shown to have beneficial effects in fibrocystic human breast disease.

TargetActionsOrganism
UNADH-ubiquinone oxidoreductase chain 5Not AvailableHumans
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Toxicity
Not Available
Affected organisms
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
Not Available

References

General References
  1. Shrivastava A, Tiwari M, Sinha RA, Kumar A, Balapure AK, Bajpai VK, Sharma R, Mitra K, Tandon A, Godbole MM: Molecular iodine induces caspase-independent apoptosis in human breast carcinoma cells involving the mitochondria-mediated pathway. J Biol Chem. 2006 Jul 14;281(28):19762-71. Epub 2006 May 5. [PubMed:16679319]
External Links
Human Metabolome Database
HMDB0000675
KEGG Drug
D00108
KEGG Compound
C01382
PubChem Compound
807
PubChem Substance
175426989
ChemSpider
785
ChEBI
17606
ChEMBL
CHEMBL1201225
HET
I2I
Wikipedia
Iodine
ATC Codes
D08AG03 — Iodine
AHFS Codes
  • 92:01.00* — Herbs and Natural Products
  • 88:29.00* — Minerals
  • 84:04.92 — Miscellaneous Local Anti-infectives
PDB Entries
4r1t

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Active Not RecruitingTreatmentNeuroblastomas1
0TerminatedDiagnosticBreast Cancer Early Stage Breast Cancer (Stage 1-3) / Breast Cancer Metastatic Breast Cancer / Cancer, Breast1
1CompletedBasic SciencePharmacokinetics1
1CompletedTreatmentAdenocarcinoma of the Colon / Adenocarcinoma of the Rectum / Metastatic Colon Cancer / Recurrent Colon Cancer / Recurrent Rectal Cancer / Stage IV Rectal Cancer1
1CompletedTreatmentMultiple Myeloma (MM)1
1CompletedTreatmentNeoplasms, Colorectal1
1Not Yet RecruitingDiagnosticColorectal Carcinoma Metastatic in the Liver / Metastatic Colorectal Carcinoma / Stage IV Colorectal Cancer AJCC v8 / Stage IVA Colorectal Cancer AJCC v8 / Stage IVB Colorectal Cancer AJCC v8 / Stage IVC Colorectal Cancer AJCC v81
1RecruitingDiagnosticMetastatic Thyroid carcinoma / Thyroid Carcinoma1
1RecruitingTreatmentHyperhidrosis1
1, 2Unknown StatusTreatmentThyroid Diseases1
2CompletedTreatmentNon-Hodgkin's Lymphoma (NHL)1
2RecruitingTreatmentCancer, Breast1
2RecruitingTreatmentMalignant Airway Obstruction1
2TerminatedTreatmentFollicular Lymphoma (FL) / Non-Hodgkin's Lymphoma (NHL)1
2WithdrawnTreatmentNeuroblastomas1
3Active Not RecruitingTreatmentNeoplasms, Thyroid1
3CompletedPreventionCariostatic Agents / Dental Decay1
3CompletedTreatmentConjunctivitis, Viral1
3CompletedTreatmentDental Plaque1
3TerminatedTreatmentDifferentiated Thyroid Cancer (DTC)1
3Unknown StatusTreatmentChronic Hepatitis C Virus (HCV) Infection1
3Unknown StatusTreatmentFibrocystic Changes of Breast / Fibrocystic Disease of Breast / Fibrocystic Mastopathy / Pain1
4Active Not RecruitingPreventionHysterectomy1
4CompletedDiagnosticCoronary Artery Disease / Coronary Stenosis1
4CompletedOtherStrabismus1
4CompletedPreventionPostpartum Endometritis1
4CompletedPreventionSurgical Site Infections1
4CompletedPreventionTransient Hypothyroxinemia1
4CompletedTreatmentAmputation Wound / Wound Infections1
4Enrolling by InvitationTreatmentFractures, Open / Open Appendicular Fracture / Surgical Site Infections / Unplanned Fracture-Related Reoperation1
4Not Yet RecruitingTreatmentHyperthyroidism, Autoimmune1
Not AvailableActive Not RecruitingDiagnosticCarcinoma, Colorectal / Colorectal Cancers / Colorectal Tumors / Neoplasms, Colorectal1
Not AvailableActive Not RecruitingTreatmentAbdominal Aortic Aneurysms (AAA) / Critical Lower Limb Ischemia1
Not AvailableAvailableNot AvailableChildhood Metastatic Pheochromocytoma / Neuroblastomas / Paraganglioma1
Not AvailableCompletedPreventionBacteremia1
Not AvailableCompletedPreventionSurgery, Colorectal1
Not AvailableCompletedPreventionSurgical Site Infection Following Cesarean Delivery1
Not AvailableCompletedPreventionSurgical Site Infections1
Not AvailableCompletedTreatmentEndocrine ophthalmopathy1
Not AvailableCompletedTreatmentNeoplasms, Thyroid1
Not AvailableEnrolling by InvitationPreventionPropionibacterium infection1
Not AvailableRecruitingScreeningCatheter Related Infections / Infection of Catheter Exit Site1
Not AvailableRecruitingTreatmentRoot Canal Disinfection1
Not AvailableTerminatedTreatmentPleural Diseases / Pleural Effusion, Malignant / Pleurodesis1
Not AvailableUnknown StatusDiagnosticLacrimal Apparatus Diseases1
Not AvailableWithdrawnNot AvailableThyroid Cancers1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
SolutionTopical7.5 mg/100mL
KitOral
SolutionTopical0.1 g/100mL
SolutionSubcutaneous2 g/100mL
KitTopical
InjectionIntralymphatic475 mg/1mL
LiquidTopical
LiquidOral
SolutionTopical
StripTopical
TinctureTopical20 mg/1mL
Solution / dropsTopical
SprayTopical
Solution / dropsTopical20 mg/1mL
SolutionTopical2 g/100mL
TabletOral
LiquidOral
LiquidTopical0.4 g/1g
TabletOral
Aerosol, sprayTopical0.1 g/1g
Tablet, film coatedOral
LiquidTopical
Capsule, gelatin coatedOral
LiquidIntravenous
LiquidOral2.5 g/100mL
TinctureTopical
Tablet, extended releaseOral
CapsuleOral
LiquidVaginal
Tablet, coatedOral
Tablet, chewableOral
Capsule, liquid filledOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP1.36ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity26.68 m3·mol-1ChemAxon
Polarizability10.18 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9789
Blood Brain Barrier+0.9786
Caco-2 permeable+0.6632
P-glycoprotein substrateNon-substrate0.8984
P-glycoprotein inhibitor INon-inhibitor0.9714
P-glycoprotein inhibitor IINon-inhibitor0.9923
Renal organic cation transporterNon-inhibitor0.921
CYP450 2C9 substrateNon-substrate0.8498
CYP450 2D6 substrateNon-substrate0.7906
CYP450 3A4 substrateNon-substrate0.7855
CYP450 1A2 substrateNon-inhibitor0.615
CYP450 2C9 inhibitorNon-inhibitor0.812
CYP450 2D6 inhibitorNon-inhibitor0.8992
CYP450 2C19 inhibitorNon-inhibitor0.8566
CYP450 3A4 inhibitorNon-inhibitor0.9008
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8954
Ames testNon AMES toxic0.8029
CarcinogenicityCarcinogens 0.7427
BiodegradationNot ready biodegradable0.7303
Rat acute toxicity3.0004 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9452
hERG inhibition (predictor II)Non-inhibitor0.971
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-776e7d808857b52aa594
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-776e7d808857b52aa594
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-776e7d808857b52aa594
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-9f41876d0a547fca8258
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-9f41876d0a547fca8258
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-9f41876d0a547fca8258

Taxonomy

Description
This compound belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Homogeneous halogens
Sub Class
Not Available
Direct Parent
Homogeneous halogens
Alternative Parents
Not Available
Substituents
Homogeneous halogen
Molecular Framework
Not Available
External Descriptors
diatomic iodine (CHEBI:17606) / an inorganic compound (IODINE-MOLECULE)

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Nadh dehydrogenase (ubiquinone) activity
Specific Function
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the tra...
Gene Name
MT-ND5
Uniprot ID
P03915
Uniprot Name
NADH-ubiquinone oxidoreductase chain 5
Molecular Weight
67025.67 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]

Drug created on November 18, 2007 11:24 / Updated on November 11, 2019 06:55