Sodium chenodesoxycholate

Chenodeoxycholic Acid A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.

Molecular Formula: C₂₄H₃₉NaO₄

InChI: InChI=1/C24H40O4.Na/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);/q;+1/p-1/t14-,15u,16-,17-,18u,19+,20-,22?,23u,24u;/m0./s1/fC24H39O4.Na/q-1;m

InChIKey: InChIKey=WDFRNBJHDMUMBL-SHKUGUJEDQ
SMILES: CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]

Names:
    CCRIS 637
    Chenodeoxycholic acid sodium salt
    CHENODEOXYCHOLIC ACID, SODIUM SALT
    Chenodesoxycholic acid sodium salt
    Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha)- (9CI)
    Sodium chenodeoxycholate
    Sodium chenodesoxycholate
    sodium (4S)-4-[(3S,7S,9R,14R,17S)-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
    2646-38-0
    5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-, monosodium salt

Registries:
    PubChem CID 17551
    PubChem ID 160704