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Substance Name: Cholylsarcosine sodium
RN: 165048-60-2
UNII: 0026F8BCCU
InChIKey: VHVDQXUBFQWQAU-QPHXFTIQSA-M

Molecular Formula

  • C27-H44-N-O6.Na

Molecular Weight

  • 501.6356
 
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Names and Synonyms

Name of Substance

  • Cholylsarcosine sodium

Synonyms

  • Cholylsarcosine sodium
  • Glycine, N-methyl-N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-, sodium salt (1:1)
  • Sodium N-methylglycocholate
  • Sodium N-methylglycylcholate
  • UNII-0026F8BCCU

Registry Numbers

CAS Registry Number

  • 165048-60-2

FDA UNII

  • 0026F8BCCU

System Generated Number

  • 0165048602

Structure Descriptors

InChI

1S/C27H45NO6.Na/c1-15(5-8-23(32)28(4)14-24(33)34)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30;/h15-22,25,29-31H,5-14H2,1-4H3,(H,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,25+,26+,27-;/m1./s1

InChIKey

VHVDQXUBFQWQAU-QPHXFTIQSA-M

Smiles

C[C@H](CCC(=O)N(C)CC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]