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Substance Name: Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride
RN: 1212-39-1
InChIKey: JTHXMWBSOFAULB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-F-N-O2.Cl-H

Molecular Weight

  • 261.722
 
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Names and Synonyms

Synonyms

  • m-((2-Fluoroethyl)amino)hydrocinnamic acid methyl ester hydrochloride
  • Methyl 3-(2-fluoroethylamino)hydrocinnamate hydrochloride
  • Methyl N-2-fluoroethyl-3-(m-aminophenyl)propionate hydrochloride
  • NSC 79493

Systematic Name

  • Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 1212-39-1

System Generated Number

  • 0001212391

Molecular Formulas

Molecular Formula

  • C12-H16-F-N-O2.Cl-H

Molecular Formula Fragments

  • C12-H16-F-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16FNO2.ClH/c1-16-12(15)6-5-10-3-2-4-11(9-10)14-8-7-13;/h2-4,9,14H,5-8H2,1H3;1H

InChIKey

JTHXMWBSOFAULB-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)NCCF)CCC(OC)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12304,
rat LD10 intraperitoneal 3800ug/kg (3.8mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 741, 1965.