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Naltrexone

CAS Registry Number®

16590-41-3

CAS Name

Naltrexone

Molecular Formula

C20H23NO4

Molecular Mass

341.40

Cite this Page

Naltrexone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16590-41-3 (retrieved 2024-11-23) (CAS RN: 16590-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168-170 °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/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1

InChIKey

InChIKey=DQCKKXVULJGBQN-XFWGSAIBSA-N

SMILES

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

Canonical SMILES

O=C1CCC2(O)C3N(CCC42C5=C(OC14)C(O)=CC=C5C3)CC6CC6

Other Names for this Substance

  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5α)-
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5α-epoxy-3,14-dihydroxy-
  • (5α)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
  • 1-N-Cyclopropylmethyl-7,8-dihydro-14-hydroxynormorphinone
  • N-Cyclopropylmethylnoroxymorphone

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