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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 2-((5-bromopentyl)ethylamino)ethyl ester, oxalate
RN: 54112-86-6
InChIKey: JHQWBFZNLAQGIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-Br-N-O5.C2-H2-O4

Molecular Weight

  • 522.386
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzoic acid 2-((5-bromopentyl)ethylamino)ethyl ester oxalate
  • N-(5-Bromopentyl)-N-ethyl-N-(2-(3,4,5-trimethoxybenzoyloxy)ethyl)amine oxalate

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 2-((5-bromopentyl)ethylamino)ethyl ester, oxalate

Registry Numbers

CAS Registry Number

  • 54112-86-6

System Generated Number

  • 0054112866

Molecular Formulas

Molecular Formula

  • C19-H30-Br-N-O5.C2-H2-O4

Molecular Formula Fragments

  • C19-H30-Br-N-O5
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30BrNO5.C2H2O4/c1-6-21(9-7-8-14(2)20)10-11-26-19(22)15-12-16(23-3)18(25-5)17(13-15)24-4;3-1(4)2(5)6/h12-14H,6-11H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

JHQWBFZNLAQGIA-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCC[N@@H+](CCC[C@@H](C)Br)CC)=O)cc1OC)OC)OC.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmaceutica Suecica. Vol. 11, Pg. 401, 1974.
mouse LD50 intravenous 28mg/kg (28mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmaceutica Suecica. Vol. 11, Pg. 401, 1974.