(5α,6Beta)-6-[Bis(2-Chloroethyl)Amino]-17-Methyl-4,5-Epoxymorphinan-3,14-Diol

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Properties Simple | Detailed

Formula C21H28Cl2N2O3
IUPAC Name (4r,4as,7r,7ar,12bs)-7-[bis(2-chloroethyl)amino]-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 427.365 g·mol−1
Heat of Formation -529.2 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 480.31 Å 3
Surface Area 361.4 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 6beta-n,n-bis(2-chloroethyl)oxymorphone
  • chloroxymorphamine
  • morphinan-3,14-diol, 6-(bis(2-chloroethyl)amino)-4,5-epoxy-17-methyl-, (5alpha,6beta)-
CAS Number(s)
  • 71360-45-7
InChIKey KAFQZFNWIPBPJR-GQHLEUQBSA-N
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Elements H C N O Cl