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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 2-((3-chloropropyl)ethylamino)ethyl ester, oxalate
RN: 54112-81-1
InChIKey: BZRMPLXAEATOGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-Cl-N-O5.C2-H2-O4

Molecular Weight

  • 449.881
 
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Names and Synonyms

Synonym

  • 3,4,5-Trimethoxybenzoic acid 2-((3-chloropropyl)ethylamino)ethyl ester oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54112-81-1

System Generated Number

  • 0054112811

Molecular Formulas

Molecular Formula

  • C17-H26-Cl-N-O5.C2-H2-O4

Molecular Formula Fragments

  • C17-H26-Cl-N-O5
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26ClNO5.C2H2O4/c1-5-19(8-6-7-18)9-10-24-17(20)13-11-14(21-2)16(23-4)15(12-13)22-3;3-1(4)2(5)6/h11-12H,5-10H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

BZRMPLXAEATOGI-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCC[N@@H+](CCCCl)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 40mg/kg (40mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmaceutica Suecica. Vol. 11, Pg. 401, 1974.