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Substance Name: Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-
RN: 64977-06-6
InChIKey: FZMFZUVMIYPKNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-Cl2-N2-O2

Molecular Weight

  • 319.23
 
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Names and Synonyms

Synonyms

  • 3-(p-(Bis(2-chloroethyl)amino)phenyl)-2-methylalanine
  • CB 1746
  • Phenylalanine, 4-(bis(2-chloroethyl)amino)-alpha-methyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64977-06-6

System Generated Number

  • 0064977066

Structure Descriptors

InChI

1S/C14H20Cl2N2O2/c1-14(17,13(19)20)10-11-2-4-12(5-3-11)18(8-6-15)9-7-16/h2-5H,6-10,17H2,1H3,(H,19,20)

InChIKey

FZMFZUVMIYPKNS-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)ccc(C[C@@](C(O)=O)(C)N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 60mg/kg (60mg/kg)   Biochemical Pharmacology. Vol. 11, Pg. 847, 1962.