Sodium taurochenodeoxycholate
Molecular Formula:
C26H44NNaO6S
InChI: InChI=1/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(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/fC26H44NO6S.Na/h27H;/q-1;m
InChIKey: InChIKey=IYPNVUSIMGAJFC-SWYBLIGVCV
SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
Names:
CHENYL TAURINE SODIUM
Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt
Sodium taurochenodeoxycholate
sodium 2-[4-(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)pentanoylamino]ethanesulfonate
2-(((3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt
6009-98-9
Registries:
PubChem CID 22337
PubChem ID 165002
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