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Nalmefene

CAS Registry Number®

55096-26-9

CAS Name

Nalmefene

Molecular Formula

C21H25NO3

Molecular Mass

339.43

Cite this Page

Nalmefene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55096-26-9 (retrieved 2024-11-23) (CAS RN: 55096-26-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-190 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1

InChIKey

InChIKey=WJBLNOPPDWQMCH-MBPVOVBZSA-N

SMILES

O[C@]12[C@@]34C=5C(O[C@]3(C(=C)CC1)[H])=C(O)C=CC5C[C@]2(N(CC6CC6)CC4)[H]

Canonical SMILES

OC1=CC=C2C3=C1OC4C(=C)CCC5(O)C(N(CCC345)CC6CC6)C2

Other Names for this Substance

  • Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, (5α)-
  • (5α)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinan-3,14-diol
  • 6-Desoxy-6-methylenenaltrexone
  • ORF 11676
  • Nalmetrene

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