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Substance Name: Maralixibat [USAN]
RN: 716313-53-0
UNII: UYB6UOF69L
InChIKey: STPKWKPURVSAJF-LJEWAXOPSA-N

Classification Code

  • Treatment of Cholestatic Liver Diseases

Molecular Formula

  • C40-H56-N3-O4-S

Molecular Weight

  • 674.9654
 
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Names and Synonyms

Name of Substance

  • Lopixibat
  • Maralixibat [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)-
  • Lopixibat
  • Lopixibat cation
  • Maralixibat
  • UNII-UYB6UOF69L

Registry Numbers

CAS Registry Number

  • 716313-53-0

FDA UNII

  • UYB6UOF69L

System Generated Number

  • 0716313530

Structure Descriptors

InChI

1S/C40H56N3O4S/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/q+1/t38-,39-/m1/s1

InChIKey

STPKWKPURVSAJF-LJEWAXOPSA-N

Smiles

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