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Substance Name: Sodium taurodeoxycholate
RN: 1180-95-6
UNII: 5PE424S83L
InChIKey: YXHRQQJFKOHLAP-FVCKGWAHSA-M

Note

  • 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

  • C26-H45-N-O6-S.Na

Molecular Weight

  • 521.6906
 
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Names and Synonyms

Results Name

  • Sodium taurodeoxycholate

Name of Substance

  • Sodium taurodeoxycholate

Synonyms

  • EINECS 214-652-0
  • Sodium taurodeoxycholate
  • UNII-5PE424S83L

Systematic Name

  • Sodium 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)ethane-1-sulphonate

Registry Numbers

CAS Registry Number

  • 1180-95-6

FDA UNII

  • 5PE424S83L

System Generated Number

  • 0001180956

Molecular Formulas

Molecular Formula

  • C26-H45-N-O6-S.Na

Molecular Formula Fragments

  • C26-H45-N-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1

InChIKey

YXHRQQJFKOHLAP-FVCKGWAHSA-M

Smiles

[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C