4,5α-Epoxy-3,14-Dihydroxy-N-(3-Methyl-2-Butenyl)-6-Morphinanon

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Properties Simple | Detailed

Formula C21H25NO4
IUPAC Name (3r,4r,4as,7ar,12bs)-4a,9-dihydroxy-3-(3-methylbut-2-enyl)-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Molecular Mass 355.428 g·mol−1
Heat of Formation -570.4 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 417.05 Å 3
Surface Area 341.24 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5-epoxy-3,14-dihydroxy-17-(3-methyl-2-butenyl)morphinan-6-one
  • 7,7a,8,9-tetrahydro-3,7a-dihydroxy-12-(3-methyl-2-butenyl)-6h-8,9c-iminoethanophenantro(4,5-bcd)furan-5(4alphah)-on
  • 7,8-dihydro-14-hydroxy-n-(3-methyl-2-butenyl)normorphinone
  • morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(3-methyl-2-butenyl)-. (5alpha)-
  • nalmessone [dcit]
  • nalmexone
  • um 592
CAS Number(s)
  • 16676-26-9
InChIKey OHKCLOQPSLQCQR-MBPVOVBZSA-N
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