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Substance Name: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-(1-oxononyl)-, compd. with 2-aminoethanol (1:1)
RN: 60557-47-3
InChIKey: GYYWXBXKNQGXJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-Cl2-N2-O3.C2-H7-N-O

Molecular Weight

  • 506.5109
 
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Names and Synonyms

Synonym

  • 4-(Bis(2-chloroethyl)amino)-N-(1-oxononyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)

Systematic Name

  • DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-(1-oxononyl)-, compd. with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 60557-47-3

System Generated Number

  • 0060557473

Molecular Formulas

Molecular Formula

  • C22-H34-Cl2-N2-O3.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C22-H34-Cl2-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34Cl2N2O3.C2H7NO/c1-2-3-4-5-6-7-8-21(27)25-20(22(28)29)17-18-9-11-19(12-10-18)26(15-13-23)16-14-24;3-1-2-4/h9-12,20H,2-8,13-17H2,1H3,(H,25,27)(H,28,29);4H,1-3H2

InChIKey

GYYWXBXKNQGXJT-UHFFFAOYSA-N

Smiles

CCCCCCCCC(=O)NC(Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O.C(CO)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo unreported 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 576, 1976.