Products 474-25-9

CAS 474-25-9 appears in our catalog under these names: Ursodeoxycholic Acid EP Impurity A, Chenodeoxycholic Acid (Ursodeoxycholic Acid EP Impurity A), Chenodeoxycholic Acid, >95% (HPLC), Chenodeoxycholic Acid MaxSpec® Standard, Chenodeoxycholic Acid. Offered by: Chemat Brand, TRC, GLPBio, Chemat, TCI. Available pack sizes: on request, 10g, 25g, 5g, 100μg, 100mg, 1g, 10mM (in 1ml dmso).

Structural formula: {0} (CAS {1})

Chenodeoxycholic acid is a dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. 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 a chenodeoxycholate.

Source: ChEBI

Identity
Molecular formulaC24H40O4
Molecular weight392.6 g/mol
IUPAC name(4R)-4-[(3R,5S,7R,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
InChIKeyRUDATBOHQWOJDD-BSWAIDMHSA-N
SMILESC[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)