Naltrexone

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Properties Simple | Detailed

Formula C20H23NO4
IUPAC Name (3r,4r,4as,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Molecular Mass 341.401 g·mol−1
Heat of Formation -488.8 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 394.41 Å 3
Surface Area 321.23 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 16676-29-2 (hcl salt)
  • 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxmorphinan-6-one, (5.alpha.)-
  • 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
  • 17-(cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one
  • bpbio1_000146
  • d05113
  • morphinan-6-one, 17-(cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy-
  • morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5alpha)-
  • n-cyclopropylmethyl-14-hydroxydihydromorphinone
  • n-cyclopropylmethylnoroxymorphone
  • naltrexone (usan)
  • pdsp2_000847
  • smp1_000206
  • um-792
CAS Number(s)
  • 16590-41-3
InChIKey DQCKKXVULJGBQN-XFWGSAIBSA-N
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