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Substance Name: Benzylamine, N-(3-(p-chlorophenyl)propyl)-3,4-dimethoxy-N-ethyl-, fumarate
RN: 5281-32-3
InChIKey: BVXRQXGVANCXKT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-Cl-N-O2.C4-H4-O4

Molecular Weight

  • 463.955
 
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Names and Synonyms

Synonym

  • N-(3-(p-Chlorophenyl)propyl)-3,4-dimethoxy-N-ethylbenzylamine fumarate

Systematic Name

  • Benzylamine, N-(3-(p-chlorophenyl)propyl)-3,4-dimethoxy-N-ethyl-, fumarate

Registry Numbers

CAS Registry Number

  • 5281-32-3

System Generated Number

  • 0005281323

Molecular Formulas

Molecular Formula

  • C20-H26-Cl-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C20-H26-Cl-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26ClNO2.C4H4O4/c1-4-22(13-5-6-16-7-10-18(21)11-8-16)15-17-9-12-19(23-2)20(14-17)24-3;5-3(6)1-2-4(7)8/h7-12,14H,4-6,13,15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BVXRQXGVANCXKT-WLHGVMLRSA-N

Smiles

c1(cc(c(cc1)OC)OC)C[N@@H+](CCCc1ccc(Cl)cc1)CC.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1145, 1967.
mouse LD50 oral 770mg/kg (770mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1145, 1967.