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Substance Name: Acetic acid, (1H-purin-6-ylthio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide
RN: 130953-27-4
InChIKey: OULKSDKUJSYCFF-YCPBAFNGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Cl2-N7-O-S

Molecular Weight

  • 452.3681
 
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Names and Synonyms

Synonyms

  • (1H-Purin-6-ylthio)acetic acid ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide
  • BRN 4770075

Systematic Name

  • Acetic acid, (1H-purin-6-ylthio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide

Registry Numbers

CAS Registry Number

  • 130953-27-4

System Generated Number

  • 0130953274

Structure Descriptors

InChI

1S/C18H19Cl2N7OS/c19-5-7-27(8-6-20)14-3-1-13(2-4-14)9-25-26-15(28)10-29-18-16-17(22-11-21-16)23-12-24-18/h1-4,9,11-12H,5-8,10H2,(H,26,28)(H,21,22,23,24)/b25-9+

InChIKey

OULKSDKUJSYCFF-YCPBAFNGSA-N

Smiles

c1cc(ccc1/C=N/NC(=O)CSc2c-3ncnc3nc[nH]2)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1290mg/kg (1290mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 493, 1990.