small molecule

Ursodeoxycholic acid

Synonyms/Brands: UDCA, Actigall, Ursodiol, actigall, urso 250, phl-ursodiol, Ursodeoxycholate, Ursodeoxycholic acid, Acido ursodeoxicolico, Acido ursodeossicolico, Acide ursodesoxycholique, Acidum ursodeoxycholicum, (3,5,7)-3,7-dihydroxycholan-24-oic acid, 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid, (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid

Ursodeoxycholic acid is an epimer of chenodeoxycholic acid (DB06777). 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: C₂₄H₄₀O₄

Molecular Weight:: 392.572

CAS:: 128-13-2

ATC:: A05AA02

InChiKey:: RUDATBOHQWOJDD-UZVSRGJWSA-N

InChi:: InChI=1S/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

SMILES:: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O

IUPAC Name:: (4R)-4-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-14-yl]pentanoic acid

DrugBank ChEMBL PubChem ChemSpider ChEBI PDB KEGG Drug

Download Curated Data for this Chemical

1525

Interactors 1
Chemical Interactions 3
Network

Chemical Summary

Ursodeoxycholic acid