Maraviroc

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Properties Simple | Detailed

Formula C29H41F2N5O
IUPAC Name 4,4-difluoro-n-[(1s)-3-[(1r,5s)-3-(3-isopropyl-5-methyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide
Molecular Mass 513.666 g·mol−1
Heat of Formation -579.1 ± 16.7 kJ·mol−1
Dipole Moment 11.87 ± 1.08 D
Volume 643.95 Å 3
Surface Area 453.65 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4,4-difluoro-n-[(1s)-3-[(1r,5s)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexane-1-carboxamide
  • 4,4-difluoro-n-[(1s)-3-[(1r,5s)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide
  • 4,4-difluoro-n-[(1s)-3-[(1r,5s)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexane-1-carboxamide
  • 4,4-difluoro-n-[(1s)-3-[(1r,5s)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
  • celsentri
  • cyclohexanecarboxamide, 4,4-difluoro-n-((1s)-3-((3-exo)-3-(3-methyl-5-(1-methylethyl)-4h-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)oct-8-yl)-1-phenylpropyl)-
  • exo-4,4-difluoro-n-[3-[3-(3-isopropyl-5-methyl-4h-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(s)-phenylpropyl]cyclohexanecarboxamide
  • mvc
  • pro 140 (anti-ccr5 monoclonal antibody) & exo-4,4-difluoro-n-[3-[3-(3-isopropyl-5-methyl-4h-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(s)-phenylpropyl]cyclohexanecarboxamide
  • pro 140+maraviroc
  • selzentry
  • uk 427857
  • uk-427,857
  • uk-427857
CAS Number(s)
  • 376348-65-1
  • 674782-29-7
InChIKey GSNHKUDZZFZSJB-QYOOZWMWSA-N
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