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Substance Name: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)
RN: 60557-51-9
InChIKey: QSVGPKFALQTMOK-GPPWNDLUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-Cl2-N2-O4.C2-H7-N-O2

Molecular Weight

  • 466.4027
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 60557-51-9

System Generated Number

  • 0060557519

Molecular Formulas

Molecular Formula

  • C18-H26-Cl2-N2-O4.C2-H7-N-O2

Molecular Formula Fragments

  • C18-H26-Cl2-N2-O4
  • C2-H7-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26Cl2N2O4.C2H7NO/c1-3-13(2)26-18(25)21-16(17(23)24)12-14-4-6-15(7-5-14)22(10-8-19)11-9-20;3-1-2-4/h4-7,13,16H,3,8-12H2,1-2H3,(H,21,25)(H,23,24);4H,1-3H2/t13?,16-;/m0./s1

InChIKey

QSVGPKFALQTMOK-GPPWNDLUSA-N

Smiles

CCC(C)OC(=O)N[C@@H](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 300mg/kg (300mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 576, 1976.