Sodium cholic acid

PubChem Notes:

Sodium Cholate A trihydroxy bile salt that is used as a digestive aid in dietary supplements. It is used in culture media and in conjunction with PAPAIN and PANCREATIN.

Molecular Formula: C24H39NaO5


InChI: InChI=1/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/fC24H39O5.Na/q-1;m

InChIKey: InChIKey=NRHMKIHPTBHXPF-OVINWOIZCR
SMILES: CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

Names:
    CCRIS 643
    Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3alpha,5beta,7alpha,12alpha)-
    Cholic acid, monosodium salt
    Cholic acid, sodium salt
    DS-Na
    EINECS 206-643-5
    SODIUM CHOLATE
    Sodium cholic acid
    sodium 4-(3,7,12-trihydroxy-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
    Trihydroxy 3-7-12 cholanate de Na [French]
    361-09-1

Registries:
    PubChem CID 5028301
    PubChem ID 152893