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Substance Name: Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
RN: 4252-38-4
InChIKey: BGUDHXALTNCDIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-Cl-F-N-O3

Molecular Weight

  • 287.716
 
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Names and Synonyms

Synonyms

  • 3-(p-((2-Chloroethyl)(2-fluoroethyl)amino)phenyl)pyruvic acid
  • N-2-Chloroethyl-N-2-fluoroethyl-p-aminophenylpyruvic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4252-38-4

System Generated Number

  • 0004252384

Structure Descriptors

InChI

1S/C13H15ClFNO3/c14-5-7-16(8-6-15)11-3-1-10(2-4-11)9-12(17)13(18)19/h1-4H,5-9H2,(H,18,19)

InChIKey

BGUDHXALTNCDIJ-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)N(CCF)CCCl)CC(C(=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12305,
rat LD10 intraperitoneal 14mg/kg (14mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 741, 1965.