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Substance Name: Cenicriviroc mesylate [USAN]
RN: 497223-28-6
UNII: R96TV84T21
InChIKey: IXPBPUPDRDCRSY-WNRKZQPVSA-N

Note

  • An inhibitor of HIV-1.

Classification Code

  • Treatment of HIV Infection and Arthritis

Molecular Formula

  • C41-H52-N4-O4-S.C-H4-O3-S

Molecular Weight

  • 793.0574
 
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Names and Synonyms

Name of Substance

  • Cenicriviroc mesylate [USAN]

Synonyms

  • (S)-8-(4-(2-Butoxyethoxy)phenyl)-1-(2-methylpropyl)-N-(4-(((1-propyl-1H-imidazol- 5- yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide monomethanesulfonate
  • Cenicriviroc mesylate
  • TAK-652
  • TBR-652
  • UNII-R96TV84T21

Systematic Name

  • 1-Benzazocine-5-carboxamide, 8-(4-(2-butoxyethoxy)phenyl)-1,2,3,4-tetrahydro-1-(2- methylpropyl)-N-(4-((S)-((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-, methanesulfonate (1:1)

Registry Numbers

CAS Registry Number

  • 497223-28-6

FDA UNII

  • R96TV84T21

System Generated Number

  • 0497223286

Structure Descriptors

InChI

1S/C41H52N4O4S.CH4O3S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2;1-5(2,3)4/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46);1H3,(H,2,3,4)/b34-26+;

InChIKey

IXPBPUPDRDCRSY-WNRKZQPVSA-N

Smiles

CCCCOCCOc1ccc(cc1)c2ccc3N(CC(C)C)CCC\C(=C/c3c2)\C(=O)Nc4ccc(cc4)[S+]([O-])Cc5cncn5CCC.CS(=O)(=O)O