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Substance Name: Benzoic acid, p-(3-amidinoguanidino)-, hydrochloride
RN: 73698-71-2
InChIKey: WOUYATLTHNXCBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N5-O2.Cl-H

Molecular Weight

  • 257.6798
 
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Names and Synonyms

Synonyms

  • 1-(p-Carboxyphenyl)biguanide hydrochloride
  • Biguanide, 1-(p-carboxyphenyl)-, hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73698-71-2

System Generated Number

  • 0073698712

Molecular Formulas

Molecular Formula

  • C9-H11-N5-O2.Cl-H

Molecular Formula Fragments

  • C9-H11-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H11N5O2.ClH/c10-8(11)14-9(12)13-6-3-1-5(2-4-6)7(15)16;/h1-4H,(H,15,16)(H6,10,11,12,13,14);1H

InChIKey

WOUYATLTHNXCBZ-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)O)NC(=N)NC(=N)[NH3+].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4gm/kg (4000mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 521, 1967.