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Substance Name: Tauromuricholic acid
RN: 25696-60-0
InChIKey: XSOLDPYUICCHJX-OEYGYFRSSA-N

Molecular Formula

  • C26-H45-N-O7-S

Molecular Weight

  • 515.708
 
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Names and Synonyms

Name of Substance

  • Tauromuricholic acid

Synonyms

  • T-alpha-MC
  • Tauro-alpha-muricholate
  • Tauro-alpha-muricholic acid

Systematic Name

  • Ethanesulfonic acid, 2-(((3alpha,5beta,6beta,7beta)-3,6,7-trihydroxy-24-oxocholan-24-yl)amino)-

Registry Numbers

CAS Registry Number

  • 25696-60-0

System Generated Number

  • 0025696600

Structure Descriptors

InChI

1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18?,19?,20+,22?,23+,24-,25-,26-/m1/s1

InChIKey

XSOLDPYUICCHJX-OEYGYFRSSA-N

Smiles

C(CNC(CC[C@H]([C@H]1CC[C@@H]2[C@@H]3[C@H]([C@H]([C@@H]4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]12C)C)O)O)O)C)=O)S(=O)(=O)O