Pumafentrine

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Properties Simple | Detailed

Formula C29H39N3O3
IUPAC Name 4-[(4ar,10bs)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1h-pyrido[4,3-c]isoquinolin-6-yl]-n,n-di(propan-2-yl)benzamide
Molecular Mass 477.638 g·mol−1
Heat of Formation 1233.8 ± 16.7 kJ·mol−1
Dipole Moment 29.68 ± 1.08 D
Volume 594.17 Å 3
Surface Area 504.96 Å 2
HOMO Energy -6.10 ± 0.55 eV
LUMO Energy -3.65 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-p-((4ar*,10bs*)-9-ethoxy-1,2,3,4,4a,10b-hexahydro-8-methoxy-2-methyl-benzo(c)(1,6)naphthyridin-6-yl)-n,n-diisopropylbenzamide
  • 4-[(4ar,10bs)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1h-pyrido[4,3-c]isoquinolin-6-yl]-n,n-diisopropyl-benzamide
  • 4-[(4ar,10bs)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1h-pyrido[4,3-c]isoquinolin-6-yl]-n,n-diisopropylbenzamide
CAS Number(s)
  • 207993-12-2
InChIKey CVDXFPBVOIERBH-JWQCQUIFSA-N
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