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Substance Name: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((phenylmethoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)
RN: 60557-52-0
InChIKey: UIMKFGNOQQMCKT-FYZYNONXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl2-N2-O4.C2-H7-N-O

Molecular Weight

  • 500.4199
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 60557-52-0

System Generated Number

  • 0060557520

Molecular Formulas

Molecular Formula

  • C21-H24-Cl2-N2-O4.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C21-H24-Cl2-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24Cl2N2O4.C2H7NO/c22-10-12-25(13-11-23)18-8-6-16(7-9-18)14-19(20(26)27)24-21(28)29-15-17-4-2-1-3-5-17;3-1-2-4/h1-9,19H,10-15H2,(H,24,28)(H,26,27);4H,1-3H2/t19-;/m0./s1

InChIKey

UIMKFGNOQQMCKT-FYZYNONXSA-N

Smiles

c1ccc(cc1)COC(=O)N[C@@H](Cc2ccc(cc2)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.