Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-((aminoiminomethyl)amino)-, 2-(aminocarbonyl)phenyl ester, monohydrochloride
RN: 89022-09-3
InChIKey: ZJYRGWQQQOOTIT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N4-O3.Cl-H

Molecular Weight

  • 334.7615
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 4-((Aminoiminomethyl)amino)benzoic acid 2-(aminocarbonyl)phenyl ester hydrochloride

Systematic Name

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, 2-(aminocarbonyl)phenyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 89022-09-3

System Generated Number

  • 0089022093

Molecular Formulas

Molecular Formula

  • C15-H14-N4-O3.Cl-H

Molecular Formula Fragments

  • C15-H14-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H14N4O3.ClH/c16-13(20)11-3-1-2-4-12(11)22-14(21)9-5-7-10(8-6-9)19-15(17)18;/h1-8H,(H2,16,20)(H4,17,18,19);1H

InChIKey

ZJYRGWQQQOOTIT-UHFFFAOYSA-N

Smiles

c1(c(OC(=O)c2ccc(NC(=N)N)cc2)cccc1)C(=O)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 514, 1986.