Norucholic Acid
(3R)-3-[(3R,5S,7S,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]butanoic acid
Molecular Identity
Norucholic Acid
(3R)-3-[(3R,5S,7S,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]butanoic acid
PubChem CID: 192254
2D Structure
Properties
C23H38O4
Molecular Formula
378.50
Molecular Weight
g/mol
378.2770
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
77.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
591
Complexity
SMILES
Canonical SMILES
SMILES: CC(CC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CIsomeric SMILES
SMILES: C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)CSynonyms(20)
24-Norursodeoxycholic acid99697-24-2Norursodeoxycholic Acidnor-ursodeoxycholic acidNorucholic acidNor-udca8A5G600D9V24-nor-3alpha,7beta-dihydroxy-5beta-cholan-23-oic acid24-Norcholan-23-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-RefChem:16672724-Nor Ursodeoxycholic Acid(3R)-3-[(3R,5S,7S,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]butanoic acidCHEMBL1254990Norucholic acid (INN)(3alpha,5beta,7beta)-3,7-Dihydroxy-24-norcholan-23-oic Acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Norucholic Acid
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