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Substance Name: Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
RN: 1222-64-6
InChIKey: GOVSJKZCEOJJLF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Cl-F-N2-O2

Molecular Weight

  • 288.748
 
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Names and Synonyms

Synonym

  • 3-(p-((2-Chloroethyl)(2-fluoroethyl)amino)phenyl)alanine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1222-64-6

System Generated Number

  • 0001222646

Structure Descriptors

InChI

1S/C13H18ClFN2O2/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)

InChIKey

GOVSJKZCEOJJLF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD10 intraperitoneal 12500ug/kg (12.5mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 741, 1965.