CAS 128-13-2 appears in our catalog under these names: Ursodiol (Ursodeoxycholic Acid), Ursodeoxycholic Acid, Ursodeoxycholic Acid, >95% (HPLC), Ursodiol, Ursodeoxycholic acid, 99% . Offered by: Chemat Brand, TRC, Mikromol, GLPBio, Thermo Scientific (Alfa Aesar). Available pack sizes: on request, 1g, 5g, 5mg, 250mg, 10mM (in 1ml dmso), 500mg, 25g.
Ursodeoxycholic acid is a bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones. It has a role as a mouse metabolite and a human metabolite. It is a C24-steroid, a dihydroxy-5beta-cholanic acid and a bile acid. It is a conjugate acid of an ursodeoxycholate.
Source: ChEBI
| Molecular formula | C24H40O4 |
|---|---|
| Molecular weight | 392.6 g/mol |
| IUPAC name | (4R)-4-[(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]pentanoic acid |
| InChIKey | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| SMILES | C[C@H](CCC(=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)C |
Computed by PubChem (NCBI)