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Substance Name: Acetamide, N-(4-(((imino((imino((5-(phenylmethyl)-1,3,4-thiadiazol-2-yl)amino)methyl)amino)methyl)amino)sulfonyl)-2-methylphenyl)-, monohydrochloride
RN: 109193-31-9
InChIKey: WKFGKDWPOKCHEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N8-O3-S2.Cl-H

Molecular Weight

  • 523.0397
 
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Names and Synonyms

  • Acetamide, N-(4-(((imino((imino((5-(phenylmethyl)-1,3,4-thiadiazol-2-yl)amino)methyl)amino)methyl)amino)sulfonyl)-2-methylphenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 109193-31-9

System Generated Number

  • 0109193319

Molecular Formulas

Molecular Formula

  • C20-H22-N8-O3-S2.Cl-H

Molecular Formula Fragments

  • C20-H22-N8-O3-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N8O3S2.ClH/c1-12-10-15(8-9-16(12)23-13(2)29)33(30,31)28-19(22)24-18(21)25-20-27-26-17(32-20)11-14-6-4-3-5-7-14;/h3-10H,11H2,1-2H3,(H,23,29)(H5,21,22,24,25,27,28);1H

InChIKey

WKFGKDWPOKCHEU-UHFFFAOYSA-N

Smiles

Cc1cc(ccc1NC(=O)C)S(=O)(=O)NC(=N)NC(=N)Nc2nnc(s2)Cc3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Indian Drugs. Vol. 24, Pg. 92, 1986.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Indian Drugs. Vol. 24, Pg. 92, 1986.