Taurocholic acid sodium salt

Taurocholic Acid The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.

Molecular Formula: C₂₆H₄₄NNaO₇S

InChI: InChI=1/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15u,16u,17-,18u,19u,20u,21-,22+,24?,25u,26u;/m1./s1/fC26H44NO7S.Na/h27H;/q-1;m

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

Names:
    CCRIS 5580
    EINECS 205-653-7
    Monosodium N-choloyltaurinate
    Monosodium taurocholic acid
    Sodium N-choloyltaurinate
    sodium taurocholate
    sodium 2-[4-[(3R,7R,12S)-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]pentanoylamino]ethanesulfonate
    Taurine, N-choloyl-, sodium salt
    Taurocholate sodium salt
    Taurocholate sodium
    Taurocholic acid sodium salt

Registries:
    PubChem CID 2818456
    PubChem ID 152115