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Substance Name: DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide
RN: 70569-42-5
InChIKey: GDCDIIWXJNJVEG-NTISSMGPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-Cl2-N3-O3.Br-H

Molecular Weight

  • 485.2472
 
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Names and Synonyms

Synonym

  • N-beta-Alanyl-4-(bis(2-chloroethyl)amino)-DL-phenylalanine ethyl ester monohydrobromide

Systematic Name

  • DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide

Registry Numbers

CAS Registry Number

  • 70569-42-5

System Generated Number

  • 0070569425

Molecular Formulas

Molecular Formula

  • C18-H27-Cl2-N3-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H27-Cl2-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27Cl2N3O3.BrH/c1-2-26-18(25)16(22-17(24)7-10-21)13-14-3-5-15(6-4-14)23(11-8-19)12-9-20;/h3-6,16H,2,7-13,21H2,1H3,(H,22,24);1H/t16-;/m0./s1

InChIKey

GDCDIIWXJNJVEG-NTISSMGPSA-N

Smiles

CCOC(=O)[C@H](Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)CCN.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 40mg/kg (40mg/kg)   Biologicheskii Zhurnal Armenii. Biological Journal of Armenia. Vol. 31, Pg. 405, 1978.