3alpha,6beta,7beta,12alpha-tetrahydroxy-5beta-cholan-24-oic acid
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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
- 3alpha,6beta,7beta,12alpha-tetrahydroxy-5beta-cholan-24-oic acid
- DrugBank Accession Number
- DB18044
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 424.578
Monoisotopic: 424.282489008 - Chemical Formula
- C24H40O6
- Synonyms
- (3alpha,5beta,6beta,7beta,12alpha)-3,6,7,12-Tetrahydroxycholan-24-oic acid
- (3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxycholan-24-oic acid
- 3a,6b,7b,12a-(OH)4-5b-cholanic acid
- 3alpha,6beta,7beta,12alpha-Tetrahydroxy-5beta-cholanoic acid
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
- Not Available
- CAS number
- 75110-48-4
- InChI Key
- COCMFMBNEAMQMA-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)
- IUPAC Name
- 4-{4,5,7,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid
- SMILES
- CC(CCC(O)=O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CC(O)C12C
References
- General References
- Not Available
- External Links
- ChemSpider
- 21235683
Clinical Trials
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 logP 1.49 Chemaxon pKa (Strongest Acidic) 4.48 Chemaxon pKa (Strongest Basic) -0.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 118.22 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 112.07 m3·mol-1 Chemaxon Polarizability 47.58 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 08, 2023 18:59 / Updated at September 12, 2023 18:33