Aplaviroc

Molecule SVG Image

Properties Simple | Detailed

Formula C24H46N3O6
IUPAC Name 4-[4-[[(3r)-1-butyl-3-[(r)-cyclohexyl-hydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
Molecular Mass 472.639 g·mol−1
Heat of Formation -1016.3 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 709.2 Å 3
Surface Area 567.36 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[[(3r)-1-butyl-3-[(r)-cyclohexyl-hydroxy-methyl]-2,5-diketo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
  • 4-[4-[[(3r)-1-butyl-3-[(r)-cyclohexyl-hydroxy-methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
  • 461023-63-2 (hcl)
  • 461443-59-4 (neutral)
  • ak 602
  • ak602
  • benzoic acid, 4-[4-[[1-butyl-3-[(r)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-
  • benzoic acid, 4-[4-[[1-butyl-3-[(r)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]- & soluble cd4
  • gsk873140
  • gw873140
InChIKey GWNOTCOIYUNTQP-FQLXRVMXSA-N
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