Nalbuphine

CAS Registry Number®

20594-83-6

CAS Name

Nalbuphine

Molecular Formula

C21H27NO4

Molecular Mass

357.44

Cite this Page

Nalbuphine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20594-83-6 (retrieved 2024-11-21) (CAS RN: 20594-83-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230.5 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1

InChIKey

InChIKey=NETZHAKZCGBWSS-CEDHKZHLSA-N

SMILES

O[C@]12[C@@]34C=5C(O[C@]3([C@@H](O)CC1)[H])=C(O)C=CC5C[C@]2(N(CC6CCC6)CC4)[H]

Canonical SMILES

OC1=CC=C2C3=C1OC4C(O)CCC5(O)C(N(CCC345)CC6CCC6)C2

Other Names for this Substance

  • Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, (5α,6α)-
  • Morphinan-3,6α,14-triol, 17-(cyclobutylmethyl)-4,5α-epoxy-
  • Nalbuphine
  • N-Cyclobutylmethyl-14-hydroxydihydronormorphine
  • MeSH ID: D009266

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Deleted or Replaced CAS Registry Numbers

200716-19-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration