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Substance Name: Volixibat potassium [USAN]
RN: 1431935-92-0
UNII: YWU8J6O8J0
InChIKey: CJMKTEIIPMBTJB-DXFHJFHKSA-M

Classification Code

  • Treatment of Gastrointestinal, Metabolic and Liver Disease

Molecular Formula

  • C38-H50-N3-O12-S2.K

Molecular Weight

  • 844.052
 
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Names and Synonyms

Name of Substance

  • Volixibat potassium [USAN]

Synonyms

  • LUM 002
  • SAR 548304
  • SHP 626
  • SHP626
  • UNII-YWU8J6O8J0
  • Volixibat potassium

Registry Numbers

CAS Registry Number

  • 1431935-92-0

FDA UNII

  • YWU8J6O8J0

System Generated Number

  • 1431935920

Structure Descriptors

InChI

1S/C38H51N3O12S2.K/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);/q;+1/p-1/t29-,31-,32-,33-,34+,35-,36-,38-;/m1./s1

InChIKey

CJMKTEIIPMBTJB-DXFHJFHKSA-M

Smiles

CCCC[C@@]1(CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c3cccc(c3)NC(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)[O-])O)OCc5ccccc5)O)N(C)C)CC.[K+]