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Substance Name: TAK 779
RN: 229005-80-5
UNII: BQW1Y9KIIP
InChIKey: VDALIBWXVQVFGZ-UHFFFAOYSA-N

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiviral Agents
  • CCR5 Receptor Antagonists

Molecular Formula

  • C33-H39-N2-O2.Cl

Molecular Weight

  • 531.136
 
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Names and Synonyms

Name of Substance

  • TAK 779

Synonyms

  • N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride
  • TAK 799
  • UNII-BQW1Y9KIIP

Systematic Names

  • 2H-Oyran-4-aminium, N-((4-(((6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl)carbonyl)amino)phenyl)methyl)tetrahydro-N,N-dimethyl-
  • 2H-Pyran-4-aminium, N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-, chloride

Registry Numbers

CAS Registry Number

  • 229005-80-5

FDA UNII

  • BQW1Y9KIIP

System Generated Number

  • 0229005805

Molecular Formulas

Molecular Formula

  • C33-H39-N2-O2.Cl

Molecular Formula Fragments

  • C33-H39-N2-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H

InChIKey

VDALIBWXVQVFGZ-UHFFFAOYSA-N

Smiles

[Cl-].Cc1ccc(cc1)c2ccc3CCCC(=Cc3c2)C(=O)Nc4ccc(C[N+](C)(C)C5CCOCC5)cc4