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Substance Name: Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)
RN: 111910-28-2
InChIKey: AZLUQZFCMSSYLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-Cl-N3-O3.C-H4-O3-S

Molecular Weight

  • 401.8254
 
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Names and Synonyms

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 111910-28-2

System Generated Number

  • 0111910282

Molecular Formulas

Molecular Formula

  • C14-H12-Cl-N3-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C14-H12-Cl-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C14H12ClN3O3.CH4O3S/c15-9-5-11(19)7-12(6-9)21-13(20)8-1-3-10(4-2-8)18-14(16)17;1-5(2,3)4/h1-7,19H,(H4,16,17,18);1H3,(H,2,3,4)

InChIKey

AZLUQZFCMSSYLP-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1cc(ccc1C(=O)Oc2cc(cc(c2)Cl)O)NC(=N)N

Toxicity

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