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Substance Name: Benzaldehyde, p-(bis(2-chloroethyl)amino)-, (4-amino-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride
RN: 26050-23-7
InChIKey: AFRFJJXOHDRSTB-WWIHJBQESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C13-H16-Cl2-N7.Cl-H
  • C13-H17-Cl2-N7.Cl-H

Molecular Weight

  • 378.693
 
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Names and Synonyms

Synonyms

  • 3-(4-(Bis(2-chloroethyl)amino)benzylidenehydrazino)-4-amino-1,2,4-triazole hydrochloride
  • NSC 80256

Systematic Names

  • Benzaldehyde, 4-(bis(2-chloroethyl)amino)-(4-amino-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride (9CI)
  • Benzaldehyde, p-(bis(2-chloroethyl)amino)-(4-amino-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride (8CI)
  • Benzaldehyde, p-(bis(2-chloroethyl)amino)-, (4-amino-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride

Registry Numbers

CAS Registry Number

  • 26050-23-7

System Generated Number

  • 0026050237

Molecular Formulas

Molecular Formulas

  • C13-H16-Cl2-N7.Cl-H
  • C13-H17-Cl2-N7.Cl-H

Molecular Formula Fragments

  • C13-H16-Cl2-N7
  • C13-H17-Cl2-N7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17Cl2N7.ClH/c14-5-7-21(8-6-15)12-3-1-11(2-4-12)9-17-19-13-20-18-10-22(13)16;/h1-4,9-10H,5-8,16H2,(H,19,20);1H/b17-9+;

InChIKey

AFRFJJXOHDRSTB-WWIHJBQESA-N

Smiles

c1([N+](CCCl)CCCl)ccc(\C=N\Nc2nncn2N)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 9, Pg. 43, 1977.
mouse LD50 oral 50mg/kg (50mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 9, Pg. 43, 1977.