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Substance Name: Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(ethoxycarbonyl)phenyl ester, monohydrochloride
RN: 89022-08-2
InChIKey: XMXUDKUDGCGBCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N3-O4

Molecular Weight

  • 363.7992
 
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Names and Synonyms

Synonym

  • 4-((Aminoiminomethyl)amino)benzoic acid 4-(ethoxycarbonyl)phenyl ester hydrochloride

Systematic Name

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(ethoxycarbonyl)phenyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 89022-08-2

System Generated Number

  • 0089022082

Structure Descriptors

InChI

1S/C17H17N3O4.ClH/c1-2-23-15(21)11-5-9-14(10-6-11)24-16(22)12-3-7-13(8-4-12)20-17(18)19;/h3-10H,2H2,1H3,(H4,18,19,20);1H

InChIKey

XMXUDKUDGCGBCB-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(cc1)OC(=O)c2ccc(cc2)NC(=N)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 514, 1986.