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Substance Name: Maralixibat chloride [USAN]
RN: 228113-66-4
UNII: V78M04F0XC
InChIKey: POMVPJBWDDJCMP-RUKDTIIFSA-M

Classification Code

  • Treatment of Cholestatic Liver Diseases

Molecular Formula

  • C40-H56-N3-O4-S.Cl

Molecular Weight

  • 710.4184
 
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Names and Synonyms

Name of Substance

  • Lopixibat chloride [INN]
  • Maralixibat chloride [USAN]

Synonyms

  • 4-Aza-1-azoniabicyclo(2.2.2)octane, 1-((4-((4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-4-hydroxy-1,1-dioxido-1-benzothiepin-5-yl)phenoxy)methyl)phenyl)methyl)-, chloride (1:1)
  • Lopixibat chloride
  • Lopixibat chloride [INN]
  • LUM 001
  • LUM-001
  • LUM001
  • Maralixibat chloride
  • SHP 625
  • SHP625
  • UNII-V78M04F0XC

Registry Numbers

CAS Registry Number

  • 228113-66-4

FDA UNII

  • V78M04F0XC

System Generated Number

  • 0228113664

Structure Descriptors

InChI

1S/C40H56N3O4S.ClH/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43;/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3;1H/q+1;/p-1/t38-,39-;/m1./s1

InChIKey

POMVPJBWDDJCMP-RUKDTIIFSA-M

Smiles

[Cl-].CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c3ccc(OCc4ccc(C[N+]56CCN(CC5)CC6)cc4)cc3)N(C)C