D-chiro-Inositol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- D-chiro-Inositol
- DrugBank Accession Number
- DB15350
- Background
D-chiro-Inositol is under investigation in clinical trial NCT03201601 (Evaluation of the Mixture Myoinositol:D-chiro-inositol 3.6:1 in Women With Polycystic Ovary Syndrome).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 180.1559
Monoisotopic: 180.063388116 - Chemical Formula
- C6H12O6
- Synonyms
- D-Inositol
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6R79WV4R10
- CAS number
- 643-12-9
- InChI Key
- CDAISMWEOUEBRE-SHFUYGGZSA-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+/m1/s1
- IUPAC Name
- (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol
- SMILES
- O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0240209
- ChemSpider
- 10199754
- ChEBI
- 27374
- ChEMBL
- CHEMBL3976780
- ZINC
- ZINC000100024490
- Wikipedia
- 1D-chiro-Inositol
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Completed Treatment Infertility / Polycystic Ovarian Syndrome (PCOS) 1 Not Available Completed Not Available Fertility Disorders / Hodgkin's Lymphoma / Menstrual Irregularities 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 485.0 mg/mL ALOGPS logP -2.6 ALOGPS logP -3.8 Chemaxon logS 0.43 ALOGPS pKa (Strongest Acidic) 12.29 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 121.38 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 35.78 m3·mol-1 Chemaxon Polarizability 15.95 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 137.4266761 predictedDarkChem Lite v0.1.0 [M-H]- 141.51363 predictedDeepCCS 1.0 (2019) [M+H]+ 139.8723761 predictedDarkChem Lite v0.1.0 [M+H]+ 143.9092 predictedDeepCCS 1.0 (2019) [M+Na]+ 137.3780761 predictedDarkChem Lite v0.1.0 [M+Na]+ 150.49464 predictedDeepCCS 1.0 (2019)
Drug created at May 20, 2019 15:18 / Updated at June 12, 2020 16:53