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Substance Name: Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-((ethylsulfonyl)oxy)phenyl ester, monoacetate
RN: 111909-93-4
InChIKey: ZIYRZCWQZMKPLD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-Cl-N3-O5-S.C2-H4-O2

Molecular Weight

  • 457.889
 
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Names and Synonyms

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-((ethylsulfonyl)oxy)phenyl ester, monoacetate

Registry Numbers

CAS Registry Number

  • 111909-93-4

System Generated Number

  • 0111909934

Molecular Formulas

Molecular Formula

  • C16-H16-Cl-N3-O5-S.C2-H4-O2

Molecular Formula Fragments

  • C16-H16-Cl-N3-O5-S
  • C2-H4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16ClN3O5S.C2H4O2/c1-2-26(22,23)25-14-8-11(17)7-13(9-14)24-15(21)10-3-5-12(6-4-10)20-16(18)19;1-2(3)4/h3-9H,2H2,1H3,(H4,18,19,20);1H3,(H,3,4)

InChIKey

ZIYRZCWQZMKPLD-UHFFFAOYSA-N

Smiles

CCS(=O)(=O)Oc1cc(cc(c1)Cl)OC(=O)c2ccc(cc2)NC(=N)N.CC(=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,