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Substance Name: N-Nitrosoglycocholic acid
RN: 76757-85-2
UNII: U57340427Q
InChIKey: IWZAMXSNVROOQA-XOKSHVTQSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C26-H42-N2-O7

Molecular Weight

  • 494.625
 
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Names and Synonyms

Name of Substance

  • N-Nitrosoglycocholic acid

Synonyms

  • BRN 4607451
  • CCRIS 6157
  • N-Nitrosoglycocholic acid
  • UNII-U57340427Q

Systematic Names

  • Glycine, N-choloyl-N-nitroso-
  • N-Nitrosoglycocholic acid

Registry Numbers

CAS Registry Number

  • 76757-85-2

FDA UNII

  • U57340427Q

System Generated Number

  • 0076757852

Structure Descriptors

InChI

1S/C26H42N2O7/c1-14(4-7-22(32)28(27-35)13-23(33)34)17-5-6-18-24-19(12-21(31)26(17,18)3)25(2)9-8-16(29)10-15(25)11-20(24)30/h14-21,24,29-31H,4-13H2,1-3H3,(H,33,34)/t14?,15?,16-,17?,18?,19?,20-,21+,24?,25?,26?/m1/s1

InChIKey

IWZAMXSNVROOQA-XOKSHVTQSA-N

Smiles

C1[C@@H]2[C@@H]3[C@@H]([C@@]4([C@@H](C[C@H](O)CC4)C[C@H]3O)C)C[C@@H]([C@@]2([C@@H]([C@@H](CCC(N(CC(O)=O)N=O)=O)C)C1)C)O