2-(1-Hydroxy-Cyclopropylmethyl)-5-Ethyl-9,9-Dimethyl-2'-Hydroxy-6,7-Benzomorphan

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Properties Simple | Detailed

Formula C20H29NO2
IUPAC Name 2-(1-hydroxy-cyclopropylmethyl)-5-ethyl-9,9-dimethyl-2'-hydroxy-6,7-benzomorphan
Molecular Mass 315.450 g·mol−1
Heat of Formation -284.4 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 406.81 Å 3
Surface Area 321.75 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-bremazocine
  • 2,6-methano-3-benzazocin-8-ol, 6-ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl-,(2r)-
  • 2,6-methano-3-benzazocin-8-ol, 6-ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-, (2r,6s)-
  • 2,6-methano-3-benzazocin-8-ol, 6-ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-, (2r,6s)- (9ci)
  • bremazocine
  • bremazocine, (-)-
  • pdsp1_001586
  • pdsp2_001570
CAS Number(s)
  • 75684-07-0
InChIKey ZDXGFIXMPOUDFF-XLIONFOSSA-N
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