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Substance Name: Acetamide, N-(4-(bis(2-chloroethyl)amino)phenyl)- (9CI)
RN: 1215-16-3
InChIKey: KKJPUHZODXVLPP-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C12-H16-Cl2-N2-O

Molecular Weight

  • 275.177
 
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Names and Synonyms

Synonyms

  • 3-13-00-00167 (Beilstein Handbook Reference)
  • 4'-(Bis(2-chloroethyl)amino)acetanilide
  • Acetyl-N-(p-aminophenyl)-nitrogen mustard
  • BRN 2131179
  • Lonin 3
  • N-(4-(Bis(2-chloroethyl)amino)phenyl)acetamide
  • N-(p-Acetyl-amino-phenyl)-2,2'-dichlorodiethylamine
  • p-Acetylaminophenyl derivative of nitrogen mustard

Systematic Names

  • Acetamide, N-(4-(bis(2-chloroethyl)amino)phenyl)- (9CI)
  • Acetanilide, 4'-(bis(2-chloroethyl)amino)-

Registry Numbers

CAS Registry Number

  • 1215-16-3

System Generated Number

  • 0001215163

Structure Descriptors

InChI

1S/C12H16Cl2N2O/c1-10(17)15-11-2-4-12(5-3-11)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)

InChIKey

KKJPUHZODXVLPP-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)ccc(NC(C)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 27mg/kg (27mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.
mouse LD50 subcutaneous 65mg/kg (65mg/kg)   Journal of Embryology and Experimental Morphology. Vol. 9, Pg. 492, 1961.
rat LD50 intraperitoneal 28mg/kg (28mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.