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Substance Name: Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride (9CI)
RN: 16719-34-9
InChIKey: UETFIVDVPMGKPC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-Cl-N.Cl-H

Molecular Weight

  • 244.163
 
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Names and Synonyms

Synonyms

  • 2,3-Butadien-1-ol,N-methyl-o-chloro-benzylamine
  • N-2,3-Butadienyl-N-methyl-o-chlorobenzylamine hydrochloride
  • U-1379

Systematic Names

  • Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride (9CI)
  • Benzylamine, N-(2,3-butadienyl)-o-chloro-N-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16719-34-9

System Generated Number

  • 0016719349

Molecular Formulas

Molecular Formula

  • C12-H14-Cl-N.Cl-H

Molecular Formula Fragments

  • C12-H14-Cl-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H14ClN.ClH/c1-3-4-9-14(2)10-11-7-5-6-8-12(11)13;/h4-8H,1,9-10H2,2H3;1H

InChIKey

UETFIVDVPMGKPC-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)C[N@@H+](CC=C=C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 235mg/kg (235mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmaceutical Sciences. Vol. 57, Pg. 430, 1968.
mouse LD50 intravenous 59mg/kg (59mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmaceutical Sciences. Vol. 57, Pg. 430, 1968.