Molecular Identity
chenodeoxycholic acid
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-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
PubChem CID: 10133
Chenodiol can cause developmental toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C24H40O4
Molecular Formula
392.60
Molecular Weight
g/mol
392.2927
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
77.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
605
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
chenodeoxycholic acidChenodiol474-25-9ChenixCdcaChenic acidChenodesoxycholic acidChendolGallodesoxycholic acidAnthropodeoxycholic acidAnthropodesoxycholic acidAnthropododesoxycholic acidFluibilChenocolChenossil
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to chenodeoxycholic acid
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