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Substance Name: Taurine, N-choloyl-N-nitroso-, sodium salt
RN: 76757-84-1
InChIKey: ZRDPHNFMYUMWJY-IBUVTUARSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C26-H43-N2-O8-S.Na

Molecular Weight

  • 566.688
 
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Names and Synonyms

Synonyms

  • CCRIS 6158
  • N-Nitrosotaurocholic acid sodium salt

Systematic Names

  • N-Nitrosotaurocholic acid, sodium salt
  • Taurine, N-choloyl-N-nitroso-, sodium salt

Registry Numbers

CAS Registry Number

  • 76757-84-1

Related Registry Number

  • 82660-96-6 (Parent)

System Generated Number

  • 0076757841

Molecular Formulas

Molecular Formula

  • C26-H43-N2-O8-S.Na

Molecular Formula Fragments

  • C26-H43-N2-O8-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H44N2O8S.Na/c1-15(4-7-23(32)28(27-33)10-11-37(34,35)36)18-5-6-19-24-20(14-22(31)26(18,19)3)25(2)9-8-17(29)12-16(25)13-21(24)30;/h15-22,24,29-31H,4-14H2,1-3H3,(H,34,35,36);/q;+1/p-1/t15-,16+,17-,18-,19?,20?,21-,22+,24?,25+,26-;/m1./s1

InChIKey

ZRDPHNFMYUMWJY-IBUVTUARSA-M

Smiles

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