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Substance Name: Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester
RN: 79125-85-2
InChIKey: RGQPLKQCJHXIQP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N3-O2-S

Molecular Weight

  • 301.3685
 
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Names and Synonyms

Synonym

  • 4-(Methylthio)phenyl 4-((aminoiminomethyl)amino)benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79125-85-2

System Generated Number

  • 0079125852

Structure Descriptors

InChI

1S/C15H15N3O2S/c1-21-13-8-6-12(7-9-13)20-14(19)10-2-4-11(5-3-10)18-15(16)17/h2-9H,1H3,(H4,16,17,18)

InChIKey

RGQPLKQCJHXIQP-UHFFFAOYSA-N

Smiles

CSc1ccc(cc1)OC(=O)c2ccc(cc2)NC(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   French Demande Patent Document. Vol. #2456731,