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Substance Name: Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-
ID: AY33600000
InChIKey: SGDBTWWWUNNDEQ-LBPRGKRZSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H18-Cl2-N2-O2

Molecular Weight

  • 305.2032
 
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Names and Synonyms

Synonyms

  • 3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine
  • CB 3007

Systematic Name

  • Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-

Registry Numbers

ID Number

  • NIOSH/AY3360000

System Generated Number

  • AY33600000

Structure Descriptors

InChI

1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1

InChIKey

SGDBTWWWUNNDEQ-LBPRGKRZSA-N

Smiles

C([C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Pharmaceutical Bulletin. Vol. 2, Pg. 275, 1954.