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Substance Name: Benzoic acid, 4-((aminoiminomethyl)amino)-, phenyl ester, phosphate (1:1)
RN: 111941-80-1
InChIKey: GSPSGKATNZWKDP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N3-O2.H3-O4-P

Molecular Weight

  • 353.2694
 
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Names and Synonyms

Synonym

  • Phenyl 4-((aminoiminomethyl)amino)benzoate phosphate (1:1)

Systematic Name

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, phenyl ester, phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 111941-80-1

System Generated Number

  • 0111941801

Molecular Formulas

Molecular Formula

  • C14-H13-N3-O2.H3-O4-P

Molecular Formula Fragments

  • C14-H13-N3-O2
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C14H13N3O2.H3O4P/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12;1-5(2,3)4/h1-9H,(H4,15,16,17);(H3,1,2,3,4)

InChIKey

GSPSGKATNZWKDP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4975464,