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Substance Name: DL-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-beta-hydroxy-, ethyl ester,erythro-
RN: 61454-04-4
InChIKey: MPAQGQNPHJFAHN-NHCUHLMSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Cl2-N2-O4

Molecular Weight

  • 467.3902
 
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Names and Synonyms

Synonym

  • erythro-N-(3-(Di-(2-chloroethyl)amino)-4-methylbenzoyl)-DL-phenylserine ethyl ester

Systematic Name

  • DL-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-beta-hydroxy-, ethyl ester,erythro-

Registry Numbers

CAS Registry Number

  • 61454-04-4

System Generated Number

  • 0061454044

Structure Descriptors

InChI

1S/C23H28Cl2N2O4/c1-3-31-23(30)20(21(28)17-7-5-4-6-8-17)26-22(29)18-10-9-16(2)19(15-18)27(13-11-24)14-12-25/h4-10,15,20-21,28H,3,11-14H2,1-2H3,(H,26,29)/t20-,21-/m1/s1

InChIKey

MPAQGQNPHJFAHN-NHCUHLMSSA-N

Smiles

CCOC(=O)[C@@H]([C@@H](c1ccccc1)O)NC(=O)c2ccc(c(c2)N(CCCl)CCCl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 450mg/kg (450mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 480, 1976.