Pentazocine

CAS Registry Number®

359-83-1

CAS Name

Pentazocine

Molecular Formula

C19H27NO

Molecular Mass

285.42

Cite this Page

Pentazocine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=359-83-1 (retrieved 2024-11-22) (CAS RN: 359-83-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145.4-147.2 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/s2

InChIKey

InChIKey=VOKSWYLNZZRQPF-RWKILVNUNA-N

SMILES

C[C@@]12C=3C(C[C@@]([C@H]1C)(N(CC=C(C)C)CC2)[H])=CC=C(O)C3

Canonical SMILES

OC1=CC=C2C(=C1)C3(C)CCN(CC=C(C)C)C(C2)C3C

Other Names for this Substance

  • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6R,11R)-rel-
  • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2α,6α,11R*)-
  • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2R,6R,11R)-rel-
  • rel-(2R,6R,11R)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-2,6-methano-3-benzazocin-8-ol
  • II-C 2

View All

Deleted or Replaced CAS Registry Numbers

3411-11-8, 6654-32-6, 6654-33-7, 7313-81-7, 10535-38-3, 16760-69-3, 16760-70-6, 21820-34-8