ZINC03918161

Ursodeoxycholic Acid An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.

Molecular Formula: C₂₄H₃₉O₄^-

InChI: InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/fC24H39O4/q-1

InChIKey: InChIKey=RUDATBOHQWOJDD-LANHMYMWDB
SMILES: CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

Names:
    ZINC03918161
    (4R)-4-[(3R,5R,7S,8S,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]pentanoate
    128-13-2

Registries:
    PubChem CID 11870242
    PubChem ID 12172141