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Substance Name: Benzenecarbothioic acid, 4-((aminoiminoethyl)amino)-, S-phenyl ester, phosphate (1:1)
RN: 41651-71-2
InChIKey: SCKULCYVCWPJOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N3-O-S.H3-O4-P

Molecular Weight

  • 369.3364
 
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Names and Synonyms

Synonym

  • S-Phenyl 4-((aminoiminoethyl)amino)benzenecarbothioate phosphate (1:1)

Systematic Name

  • Benzenecarbothioic acid, 4-((aminoiminoethyl)amino)-, S-phenyl ester, phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 41651-71-2

System Generated Number

  • 0041651712

Molecular Formulas

Molecular Formula

  • C14-H13-N3-O-S.H3-O4-P

Molecular Formula Fragments

  • C14-H13-N3-O-S
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C14H13N3OS.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

SCKULCYVCWPJOK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SC(=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,