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Substance Name: Diphenhydramine methylbromide
RN: 31065-89-1
UNII: UJO67AO8YI
InChIKey: BDQPXVWYFLTETB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C17-H21-N-O.C-H3-Br
  • C18-H24-N-O.Br

Molecular Weight

  • 350.2976
 
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Names and Synonyms

Results Name

  • Diphenhydramine methylbromide

Name of Substance

  • Diphenhydramine methylbromide

Synonyms

  • Diphenhydramine methylbromide
  • EINECS 250-451-4
  • Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-, methylbromide
  • Paradryl
  • UNII-UJO67AO8YI

Systematic Names

  • (2-(Diphenylmethoxy)ethyl)trimethylammonium bromide
  • Ethylamine, N,N-dimethyl-2-(diphenylmethoxy)-, methylbromide

Registry Numbers

CAS Registry Number

  • 31065-89-1

FDA UNII

  • UJO67AO8YI

Other Registry Number

  • 1092065-24-1

System Generated Number

  • 0031065891

Molecular Formulas

Molecular Formulas

  • C17-H21-N-O.C-H3-Br
  • C18-H24-N-O.Br

Molecular Formula Fragments

  • Br
  • C-H3-Br
  • C17-H21-N-O
  • C18-H24-N-O
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C18H24NO.BrH/c1-19(2,3)14-15-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1

InChIKey

BDQPXVWYFLTETB-UHFFFAOYSA-M

Smiles

[Br-].C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 4mg/kg (4mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 287, 1970.