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Substance Name: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide
RN: 68524-14-1
InChIKey: SGENBFJUWQXYJX-APTPAJQOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-Cl2-N3-O3.Br-H

Molecular Weight

  • 513.3008
 
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Names and Synonyms

Synonym

  • 4-(Bis(2-chloroethyl)amino)-N-DL-valyl-DL-phenylalanine ethyl ester monohydrobromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 68524-14-1

System Generated Number

  • 0068524141

Molecular Formulas

Molecular Formula

  • C20-H31-Cl2-N3-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H31-Cl2-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31Cl2N3O3.BrH/c1-4-28-20(27)17(24-19(26)18(23)14(2)3)13-15-5-7-16(8-6-15)25(11-9-21)12-10-22;/h5-8,14,17-18H,4,9-13,23H2,1-3H3,(H,24,26);1H/t17-,18-;/m0./s1

InChIKey

SGENBFJUWQXYJX-APTPAJQOSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Biologicheskii Zhurnal Armenii. Biological Journal of Armenia. Vol. 31, Pg. 405, 1978.