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Substance Name: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((4-methylphenyl)sulfonyl)-, compd. with 2-aminoethanol (1:1)
RN: 60557-53-1
InChIKey: AVOVIEOPGCUKDK-FYZYNONXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Cl2-N2-O4-S.C2-H7-N-O

Molecular Weight

  • 520.4749
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 60557-53-1

System Generated Number

  • 0060557531

Molecular Formulas

Molecular Formula

  • C20-H24-Cl2-N2-O4-S.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C20-H24-Cl2-N2-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24Cl2N2O4S.C2H7NO/c1-15-2-8-18(9-3-15)29(27,28)23-19(20(25)26)14-16-4-6-17(7-5-16)24(12-10-21)13-11-22;3-1-2-4/h2-9,19,23H,10-14H2,1H3,(H,25,26);4H,1-3H2/t19-;/m0./s1

InChIKey

AVOVIEOPGCUKDK-FYZYNONXSA-N

Smiles

Cc1ccc(cc1)S(=O)(=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.