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Substance Name: Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride
RN: 56947-95-6
InChIKey: ZQPZMIXHYDTRMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-Cl-N6-O5-S.Cl-H

Molecular Weight

  • 463.3004
 
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Names and Synonyms

Synonym

  • N-(4-(4-((Chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)imidodicarbonimidic diamide HCl

Systematic Name

  • Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 56947-95-6

System Generated Number

  • 0056947956

Molecular Formulas

Molecular Formula

  • C15-H15-Cl-N6-O5-S.Cl-H

Molecular Formula Fragments

  • C15-H15-Cl-N6-O5-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H15ClN6O5S.ClH/c16-8-28(25,26)11-5-6-13(12(7-11)22(23)24)27-10-3-1-9(2-4-10)21(14(17)18)15(19)20;/h1-7H,8H2,(H3,17,18)(H3,19,20);1H

InChIKey

ZQPZMIXHYDTRMO-UHFFFAOYSA-N

Smiles

c1cc(ccc1N(C(=N)N)C(=N)N)Oc2ccc(cc2[N+](=O)[O-])S(=O)(=O)CCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 27, Pg. 283, 1975.