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Substance Name: Benzoic acid, p-(3-amidinoureido)-, hydrochloride
RN: 73698-72-3
InChIKey: JXGIYPVKSQWSJR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-N4-O3.Cl-H

Molecular Weight

  • 258.664
 
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Names and Synonyms

Synonyms

  • 1-Amidino-3-(p-carboxyphenyl)urea hydrochloride
  • Urea, 1-amidino-3-p-carboxyphenyl-, hydrochloride

Systematic Name

  • Benzoic acid, p-(3-amidinoureido)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 73698-72-3

System Generated Number

  • 0073698723

Molecular Formulas

Molecular Formula

  • C9-H10-N4-O3.Cl-H

Molecular Formula Fragments

  • C9-H10-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10N4O3.ClH/c10-8(11)13-9(16)12-6-3-1-5(2-4-6)7(14)15;/h1-4H,(H,14,15)(H5,10,11,12,13,16);1H

InChIKey

JXGIYPVKSQWSJR-UHFFFAOYSA-N

Smiles

c1(NC(NC(=N)[NH2+])=O)ccc(C(O)=O)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1025mg/kg (1025mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 521, 1967.