4-Amino-5-Chloro-2-Hydroxy-N-[(2S,6R,9Ar)-6-Methyloctahydro-2H-Quinolizin-2-Yl]Benzamide

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Properties Simple | Detailed

Formula C17H24ClN3O2
IUPAC Name n-[(2s,5s,6r,9ar)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-2-yl]-4-amino-5-chloro-2-hydroxy-benzamide
Molecular Mass 337.844 g·mol−1
Heat of Formation -423.1 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 396.89 Å 3
Surface Area 347.62 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-chloro-2-hydroxy-n-(octahydro-6-methyl-2h-quinolizin-2yl)benzamide
  • benzamide, 4-amino-5-chloro-2-hydroxy-n-(octahydro-6-methyl-2h-quinolizin-2-yl)-, (2alpha,6beta,9aalpha)-(+-)-
  • benzamide, 4-amino-n-[(2s,6r,9ar)-octahydro-6-methyl-2h-quinolizin-2-yl]-5-chloro-2-hydroxy-
  • bmy-27709
  • brl 20627
  • n-[(2s,6r,9ar)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-2-yl]-4-amino-5-chloro-2-hydroxy-benzamide
  • n-[(2s,6r,9ar)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-2-yl]-4-amino-5-chloro-2-hydroxybenzamide
  • n-[(2s,6r,9ar)-6-methylquinolizidin-2-yl]-4-amino-5-chloro-2-hydroxy-benzamide
CAS Number(s)
  • 99390-76-8
InChIKey SQQXDSFKORQHET-GRYCIOLGSA-N
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