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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 2-guanidinoethyl ester, monohydrochloride
RN: 75231-20-8
InChIKey: FLWLRYGIPPBOTH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N3-O5.Cl-H

Molecular Weight

  • 333.77
 
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Names and Synonyms

Synonym

  • 3,4,5-Trimethoxybenzoic acid 2-guanidinoethyl ester monohydrochloride

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 2-guanidinoethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 75231-20-8

System Generated Number

  • 0075231208

Molecular Formulas

Molecular Formula

  • C13-H19-N3-O5.Cl-H

Molecular Formula Fragments

  • C13-H19-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19N3O5.ClH/c1-18-9-6-8(7-10(19-2)11(9)20-3)12(17)21-5-4-16-13(14)15;/h6-7H,4-5H2,1-3H3,(H4,14,15,16);1H

InChIKey

FLWLRYGIPPBOTH-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(OCC[NH+]C(N)=N)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Asian Journal of Pharmaceutical Sciences. Vol. 1, Pg. 91, 1979.