Methyl (2E)-4-{[4-(2-{[(5α,6Beta,14Beta,18R)-3-Hydroxy-6-Methoxy-17-Methyl-7,8-Didehydro-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-18-Yl]Amino}-2-Oxoethyl)Phenyl]Amino}-4-Oxo-2-Butenoate

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Properties Simple | Detailed

Formula C33H35N3O7
IUPAC Name methyl (2e)-4-{[4-(2-{[(5alpha,6beta,14beta,18r)-3-hydroxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]amino}-2-oxoethyl)phenyl]amino}-4-oxo-2-butenoate
Molecular Mass 585.647 g·mol−1
Heat of Formation -785.8 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 669.29 Å 3
Surface Area 546.28 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 4-((4-(2-(((5alpha,7alpha)-4,5-epoxy-3-hydroxy-6-methoxy-17-methyl-6,14-ethenomorphinan-7-yl)amino)-2-oxoethyl)phenyl)amino)-4-oxo-, methyl ester, (e)-
  • 6,14-endotheno-7-alpha-(p-methylfumaroylaminophenylacetylamino)tetrahydroripavine
  • nih 10364
  • nih-10364
CAS Number(s)
  • 95387-01-2
InChIKey FUFVUCQZNVJNPF-OJBUMXNHSA-N
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