SODIUM TAURODEOXYCHOLATE

PubChem Notes:

Taurodeoxycholic Acid A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.

Molecular Formula: C26H44NNaO7S


InChI: InChI=1/C26H45NO7S.Na/c1-16(4-7-23(30)27-12-13-34-35(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/fC26H44NO7S.Na/h27H;/q-1;m

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

Names:
    EINECS 214-652-0
    SODIUM TAURODEOXYCHOLATE
    Sodium 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)ethane-1-sulphonate
    sodium 3,7-dihydroxy-10,13-dimethyl-17-[4-(2-sulfonatooxyethylcarbamoyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
    1180-95-6

Registries:
    PubChem CID 14444
    PubChem ID 157721