Propoxyphene

CAS Registry Number®

469-62-5
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CAS Name

Propoxyphene

Molecular Formula

C22H29NO2

Molecular Mass

339.47

Cite this Page

Propoxyphene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=469-62-5 (retrieved 2024-04-24) (CAS RN: 469-62-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    75-76 °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/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1

InChIKey

InChIKey=XLMALTXPSGQGBX-GCJKJVERSA-N

SMILES

[C@@](CC1=CC=CC=C1)([C@@H](CN(C)C)C)(OC(CC)=O)C2=CC=CC=C2

Canonical SMILES

O=C(OC(C=1C=CC=CC1)(CC=2C=CC=CC2)C(C)CN(C)C)CC

Other Names for this Substance

  • Benzeneethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-phenyl-, 1-propanoate, (αS)-
  • Benzeneethanol, α-[2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester), [S-(R*,S*)]-
  • 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), (2S,3R)-
  • Benzeneethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester), (αS)-
  • Dextropropoxyphene

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Deleted or Replaced CAS Registry Numbers

3818-94-8, 21086-94-2

CAS INSIGHTSTM
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