N-[(5α,6Beta)-17-(Cyclopropylmethyl)-3,14-Dihydroxy-4,5-Epoxymorphinan-6-Yl]-N~2~-Methyl-N~2~-(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Glycinamide

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Properties Simple | Detailed

Formula C29H32N6O7
IUPAC Name n-[(4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
Molecular Mass 576.600 g·mol−1
Heat of Formation -238.9 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 651.35 Å 3
Surface Area 469.54 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • acetamide, n-((5alpha,6bet)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-2-(methyl(7-nitro-4-benzofurazanyl)amino)-
  • asm 5-67
  • asm-5-67
  • n-cyclopropylmethyl-3-hydroxy-14beta-hydroxy-6beta-(nbd sarcosinyl)-amino-epoxymorphinan
CAS Number(s)
  • 140164-86-9
InChIKey IOLXIFPZKUBGMJ-LOSGQLGCSA-N
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