Chlornaltrexamine

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Properties Simple | Detailed

Formula C24H32Cl2N2O3
IUPAC Name (3r,4r,4as,7r,7ar,12bs)-7-[bis(2-chloroethyl)amino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 467.428 g·mol−1
Heat of Formation -419.9 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 544.61 Å 3
Surface Area 420.4 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 6beta-(bis(2-chloroethyl)amino)-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-3,14-diol
  • morphinan-3,14-diol, 6-(bis(2-chloroethyl)amino)-17-(cyclopropylmethyl)-4,5-epoxy-, (5-alpha,6-beta)-
  • pdsp2_001725
InChIKey OSLQQDMGHVQLCH-HRMPSQMFSA-N
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Elements H C N O Cl