Inositol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Inositol
Accession Number
DB13178  (DB11196)
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • 1,2,3,5/4,6-cyclohexanehexol
  • cis-1,2,3,5-trans-4,6-cyclohexanehexol
  • L-myo-Inositol
  • myo-inositol
External IDs
NSC-8101
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
BiosculptInositol (0.3 mg) + Choline (0.3 mg) + Chromium (40 mcg) + Pantothenic acid (60 mg) + Pyridoxine (4 mg) + Ubidecarenone (1.5 mg)SolutionOralMaxion Nutrition Corp.2002-06-102004-07-20Canada
Multi TabsInositol (50 mg) + Biotin (50 mcg) + Calcium (125 mg) + Cholecalciferol (400 unit) + Choline (50 mg) + Chromium (25 mcg) + Cyanocobalamin (50 mcg) + Folic Acid (0.5 mg) + Magnesium (70 mg) + Manganese (1 mg) + Niacin (50 mg) + Pantothenic acid (50 mg) + Potassium (25 mg) + Potassium Iodide (0.1 mg) + Pyridoxine (50 mg) + Riboflavin (50 mg) + Selenium (25 mcg) + Thiamine (50 mg) + Vitamin A (8000 unit) + Vitamin C (150 mg) + Vitamin E (70 unit) + Zinc (15 mg)TabletOralFlora Manufacturing And Distributing Ltd.2002-04-152003-09-15Canada
MulticapsInositol (25 mg) + Biotin (25 mcg) + Calcium (62.5 mg) + Cholecalciferol (200 unit) + Choline (25 mg) + Chromium (5 mcg) + Cyanocobalamin (25 mcg) + Folic Acid (0.25 mg) + Magnesium (35 mg) + Manganese (0.05 mg) + Niacin (25 mg) + Pantothenic acid (25 mg) + Potassium (5 mg) + Potassium Iodide (0.05 mg) + Pyridoxine (25 mg) + Riboflavin (25 mg) + Selenium (5 mcg) + Thiamine (25 mg) + Vitamin A (4000 unit) + Vitamin C (75 mg) + Vitamin E (35 unit) + Zinc (0.25 mg)CapsuleOralFlora Manufacturing And Distributing Ltd.2001-06-012007-08-03Canada
Multiple Vitamins and Minerals CapsulesInositol (25 mg) + Biotin (25 mcg) + Choline (25 mg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic Acid (.4 mg) + Iron (18 mg) + Manganese (15 mg) + Nicotinamide (25 mg) + Pantothenic acid (25 mg) + Potassium (15 mg) + Potassium Iodide (.15 mg) + Pyridoxine (25 mg) + Riboflavin (25 mg) + Thiamine (25 mg) + Vitamin A (5000 unit) + Vitamin C (150 mg) + Vitamin D (400 unit) + Vitamin E (150 unit) + Zinc (22 mg)CapsuleOralStanley Pharmaceuticals, A Division Of Vita Health Products Inc.1986-12-311997-08-08Canada
MultitabsInositol (50 mg) + Biotin (50 mcg) + Calcium (125 mg) + Cholecalciferol (400 unit) + Choline (50 mg) + Chromium (10 mcg) + Cyanocobalamin (50 mcg) + Folic Acid (0.5 mg) + Magnesium (70 mg) + Manganese (1 mg) + Niacin (50 mg) + Pantothenic acid (50 mg) + Potassium (10 mg) + Potassium Iodide (0.1 mg) + Pyridoxine (50 mg) + Riboflavin (50 mg) + Selenium (10 mcg) + Thiamine (50 mg) + Vitamin A (8000 unit) + Vitamin C (150 mg) + Vitamin E (70 unit) + Zinc (0.5 mg)TabletOralFlora Manufacturing And Distributing Ltd.2001-04-102002-08-30Canada
One A Day Multiple Vit W MineralsInositol (10 mg) + Biotin (10 mcg) + Calcium (125 mg) + Choline (10 mg) + Copper (1 mg) + Cyanocobalamin (10 mcg) + Folic Acid (.1 mg) + Iron (10 mg) + Magnesium (50 mg) + Manganese (1 mg) + Nicotinamide (10 mg) + Pantothenic acid (10 mg) + Potassium (20 mg) + Potassium Iodide (.1 mg) + Pyridoxine (10 mg) + Riboflavin (10 mg) + Thiamine (10 mg) + Vitamin A (10000 unit) + Vitamin C (150 mg) + Vitamin D (400 unit) + Vitamin E (10 unit) + Zinc (10 mg)TabletOralAlbi Naturals1985-12-312008-07-17Canada
Stom #2Inositol (62.5 mg) + Biotin (75 mcg) + Calcium (85 mg) + Calcium Phosphate (70 mg) + Choline (35 mg) + Iron (4 mg)CapsuleOralMorinda Canada1999-12-202001-07-23Canada
Vasula TabInositol (25 mg) + Choline (16 mg) + Nicotinamide (6 mg) + Pyridoxine (.5 mg) + Thiamine (1 mg) + Vitamin C (35 mg) + Vitamin E (6 unit)TabletOralTherapeutic Foods Co.1992-12-311999-08-12Canada
Vege 1 Daily TabInositol (50 mg) + Biotin (50 mcg) + Calcium (125 mg) + Choline (50 mg) + Copper (1 mg) + Cyanocobalamin (50 mcg) + Ergocalciferol (400 unit) + Folic Acid (.4 mg) + Iron (13.5 mg) + Magnesium (50 mg) + Nicotinamide (50 mg) + Pantothenic acid (50 mg) + Potassium (.1 mg) + Pyridoxine (50 mg) + Riboflavin (50 mg) + Selenium (25 mcg) + Thiamine (50 mg) + Vitamin A (10000 unit) + Vitamin C (200 mg) + Vitamin E (100 unit) + Zinc (4 mg)TabletOralNu Life Nutrition Ltd.1987-12-312000-03-03Canada
VitaplexInositol (15 mg) + Biotin (10 mcg) + Calcium (125 mg) + Choline (15 mg) + Copper (2 mg) + Cyanocobalamin (14 mcg) + Folic Acid (.05 mg) + Iron (15 mg) + Magnesium (50 mg) + Nicotinamide (20 mg) + Pantothenic acid (5 mg) + Potassium Iodide (.1 mg) + Pyridoxine (3 mg) + Riboflavin (7.5 mg) + Thiamine (4.5 mg) + Vitamin A (10000 unit) + Vitamin C (150 mg) + Vitamin D (400 unit) + Vitamin E (10 unit)TabletOralSantÉ Naturelle (Ag) LtÉe1984-12-311997-09-09Canada
Categories
UNII
4L6452S749
CAS number
87-89-8
Weight
Average: 180.1559
Monoisotopic: 180.063388116
Chemical Formula
C6H12O6
InChI Key
CDAISMWEOUEBRE-GPIVLXJGSA-N
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
IUPAC Name
(1R,2R,3r,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol
SMILES

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
Not Available
External Links
Human Metabolome Database
HMDB00211
KEGG Compound
C00137
ChemSpider
10239179
ChEBI
17268
ChEMBL
CHEMBL1222251
HET
INS
Wikipedia
Inositol
ATC Codes
A11HA07 — Inositol
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Unknown StatusTreatmentPolycystic Ovaries Syndrome1
1CompletedPreventionRecurrent Neural Tube Defects1
1, 2Not Yet RecruitingTreatmentAnxiety Disorders / Bipolar Disorder (BD) / Feeling Anxious1
1, 2TerminatedPreventionColon Carcinoma / Dysplasia in Crohn Disease / Low Grade Dysplasia in Ulcerative Colitis / Rectal Carcinoma1
2CompletedPreventionLung Cancer Non-Small Cell Cancer (NSCLC) / Squamous Lung Dysplasia1
2CompletedTreatmentHair Pulling / Trichotillomania1
2, 3Active Not RecruitingTreatmentInfertilities / Polycystic Ovarian Syndrome1
3TerminatedPreventionRetinopathy of Prematurity (ROP)1
4CompletedTreatmentDiabetic Peripheral Neuropathic Pain1
4RecruitingTreatmentPediatric Bipolar Spectrum Disorders1
Not AvailableCompletedTreatmentBipolar Disorder (BD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
SolutionOral
CapsuleOral
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility485.0 mg/mLALOGPS
logP-2.6ALOGPS
logP-3.8ChemAxon
logS0.43ALOGPS
pKa (Strongest Acidic)12.29ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity35.78 m3·mol-1ChemAxon
Polarizability16.14 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)GC-MSsplash10-014j-0953000000-1571a0577293e96091b1
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)GC-MSsplash10-00kb-0932000000-96ddc21293431d746ad2
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-00kb-0942000000-b78076224adf13bade25
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-00kb-0942000000-42c4e40d04b4f306535d
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)GC-MSsplash10-00di-8942000000-f5d7abd38d6ff547a0a9
GC-MS Spectrum - GC-MS (6 TMS)GC-MSsplash10-066r-0975000000-df7304c12b6c9bdb0f76
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-014j-0953000000-1571a0577293e96091b1
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kb-0932000000-96ddc21293431d746ad2
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kb-0942000000-b78076224adf13bade25
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00di-8942000000-f5d7abd38d6ff547a0a9
GC-MS Spectrum - GC-MSGC-MSsplash10-066r-0975000000-df7304c12b6c9bdb0f76
MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated)LC-MS/MSsplash10-0a59-3900000000-96084971c3e13a1e7451
MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated)LC-MS/MSsplash10-001i-9000000000-1de17d7f53ca727e6d72
MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated)LC-MS/MSsplash10-0zh9-9000000000-bef910214341056a78aa
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Alcohols and polyols
Direct Parent
Cyclohexanols
Alternative Parents
Sugar alcohols / Cyclitols and derivatives / Polyols / Hydrocarbon derivatives
Substituents
Cyclohexanol / Sugar alcohol / Cyclitol or derivatives / Cyclic alcohol / Polyol / Hydrocarbon derivative / Aliphatic homomonocyclic compound
Molecular Framework
Aliphatic homomonocyclic compounds
External Descriptors
inositol (CHEBI:17268 )

Drug created on June 06, 2017 14:13 / Updated on September 01, 2017 12:29