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Substance Name: Sodium taurodehydrocholate
RN: 57011-24-2
InChIKey: RKSAYDXINPFQGF-PFGONMSQSA-M

Molecular Formula

  • C26-H39-N-O7-S.Na

Molecular Weight

  • 531.642
 
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Names and Synonyms

Results Name

  • Sodium taurodehydrocholate

Synonym

  • Sodium taurodehydrocholate

Systematic Name

  • Ethanesulfonic acid, 2-(((5beta)-3,7,12,24-tetraoxocholan-24-yl)amino)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 57011-24-2

Other Registry Number

  • 130860-44-5

Related Registry Number

  • 517-37-3 (Parent)

System Generated Number

  • 0057011242

Molecular Formulas

Molecular Formula

  • C26-H39-N-O7-S.Na

Molecular Formula Fragments

  • C26-H39-N-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H39NO7S.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;/h15-16,18-20,24H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,18-,19?,20?,24?,25+,26-;/m1./s1

InChIKey

RKSAYDXINPFQGF-PFGONMSQSA-M

Smiles

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