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/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1/fC26H44NO7S.Na/h27H;/q-1;m

InChIKey: InChIKey=JAJWGJBVLPIOOH-XMOFQHHLDV
SMILES: [Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

CAS number 145-42-6

Names:
    CHEBI:36276
    Monosodium N-choloyltaurinate
    monosodium N-choloyltaurinate
    sodium taurocholate
    sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
    sodium 2-[[(4R)-4-[(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonate
    Taurocholate sodium salt
    Taurocholate sodium
    taurocholate sodium
    taurocholate sodium salt
    Taurocholic acid sodium salt
    taurocholic acid sodium salt
    145-42-6

Registries:
    PubChem CID 2724422
    Beilstein =3901620
    CAS 145-42-6 (from NIST)
    ChEBI 36276
    PubChem ID 14718168