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Substance Name: Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
RN: 4252-37-3
InChIKey: MMDMENBHDGFFBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-F-N2-O3

Molecular Weight

  • 392.856
 
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Names and Synonyms

Synonym

  • N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4252-37-3

System Generated Number

  • 0004252373

Structure Descriptors

InChI

1S/C20H22ClFN2O3/c21-10-12-24(13-11-22)17-8-6-15(7-9-17)14-18(20(26)27)23-19(25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,25)(H,26,27)

InChIKey

MMDMENBHDGFFBO-UHFFFAOYSA-N

Smiles

c1(N(CCF)CCCl)ccc(C[C@@H](NC(c2ccccc2)=O)C(O)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD10 intraperitoneal 14mg/kg (14mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 741, 1965.