Ursodiol

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.

[(Science: chemical) 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. Pharmacological action: cholagogues and choleretics, gastrointestinal agents. Chemical name: Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-

[1. A bile acid used to facilitate the dissolution of gallstones in patients; a potential alternative to cholecystectomy.

Molecular Formula: C₂₄H₄₀O₄

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)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/f/h27H

InChIKey: InChIKey=RUDATBOHQWOJDD-QERVUZFQDS
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@@H](O)C2)[C@H](C)CCC(O)=O

CAS number 128-13-2

Names:
    Actigall
    C07880
    URSODEOXYCHOLIC ACID
    Ursodeoxycholic acid
    ursodeoxycholic acid
    ursodiol
    Ursodiol
    (3α,5β,7β)-3,7-dihydroxycholan-24-oic acid
    (4R)-4-[(3R,5S,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]pentanoic acid
    128-13-2

Registries:
    PubChem CID 31401
    Beilstein =3219888
    CAS 128-13-2 (from NIST)
    ChEBI 9907
    Kegg C07880
    Kegg D00734
    PubChem ID 10082