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Substance Name: Propoxyphene carbinol
RN: 37947-49-2
UNII: W4494CHJ3W
InChIKey: RHUFCQJLAFEIJR-MYXGOWFTSA-N

Molecular Formula

  • C23-H31-N-O3.C3-H4-O4

Molecular Weight

  • 443.5367
 
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Names and Synonyms

Name of Substance

  • Propoxyphene carbinol

Synonym

  • UNII-W4494CHJ3W

Systematic Names

  • Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-(3-methoxyphenyl-, propanoate (ester), propanedioate (1:1) (salt)
  • Propanedioic acid, compd. with 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-(phenylmethyl)propyl propanoate (1:1)

Registry Numbers

CAS Registry Number

  • 37947-49-2

FDA UNII

  • W4494CHJ3W

System Generated Number

  • 0037947492

Molecular Formulas

Molecular Formula

  • C23-H31-N-O3.C3-H4-O4

Molecular Formula Fragments

  • C23-H31-N-O3
  • C3-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO2.C3H4O4/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;4-2(5)1-3(6)7/h6-15,18H,5,16-17H2,1-4H3;1H2,(H,4,5)(H,6,7)/t18-,22+;/m1./s1

InChIKey

RHUFCQJLAFEIJR-MYXGOWFTSA-N

Smiles

OC(=O)CC(=O)O.O([C@@]([C@@H](CN(C)C)C)(c1ccccc1)Cc1ccccc1)C(=O)CC