C26H44O4
420.6 g/mol
APIWarning
Obeticholic acid
CAS459789-99-2
Category
API
Compound Class
Steroid
Primary Use
Pharmaceutical Raw Material
Obeticholic acid is a semi-synthetic bile acid analogue used as an active pharmaceutical ingredient. It is primarily employed in pharmaceutical manufacturing for the production of medications, including those for primary biliary cholangitis.
pharmaceutical raw materialactive pharmaceutical ingredient
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 459789-99-2
Related Compounds
SimilarStructure SimilarSimilarity 0.76
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Safety Reference
Warning
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
H361Suspected of damaging fertility or the unborn child
H373May cause damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKey
ZXERDUOLZKYMJM-ZWECCWDJSA-N
SMILES
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
Synonyms (28)
- 6-ECDCA
- Obeticholic acid (JAN/USAN/INN)
- 1osv
- 6-ECDCA; Obeticholic acid
- 6-Et CDCA
- 6-Ethyl-CDCA
- 6-Ethylchenodeoxycholic acid
- 6-Ethylchenodeoxycholic aicd
- Obetichloic acid
- Obeticholic acid
- Obeticholic acid (INT-747)
- Ocaliva
- Ocaliva (TN)
- acide obeticholique
- acido obeticolico
- acidum obeticholicum