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Substance Name: Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- (9CI)
RN: 64508-90-3
InChIKey: YQMOTGVJXOHLKM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H21-Cl2-N-O2

Molecular Weight

  • 318.242
 
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Names and Synonyms

Synonyms

  • 4-(Bis(2-chloroethyl)amino)benzenepentanoic acid
  • 4-14-00-01738 (Beilstein Handbook Reference)
  • 5-(4-Bis(2-chloroethyl)aminophenyl)pentanoic acid
  • 5-(p-(Bis(2-chloroethyl)amino)phenyl)valeric acid
  • BRN 3375210
  • CB 1356
  • p-N,N-Di-(2-chloroethyl)aminophenylvaleric acid

Systematic Names

  • Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- (9CI)
  • Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenyl)-

Registry Numbers

CAS Registry Number

  • 64508-90-3

System Generated Number

  • 0064508903

Structure Descriptors

InChI

1S/C15H21Cl2NO2/c16-9-11-18(12-10-17)14-7-5-13(6-8-14)3-1-2-4-15(19)20/h5-8H,1-4,9-12H2,(H,19,20)

InChIKey

YQMOTGVJXOHLKM-UHFFFAOYSA-N

Smiles

C(=O)(O)CCCCc1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 50mg/kg (50mg/kg)   Biochemical Pharmacology. Vol. 5, Pg. 192, 1960.