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Substance Name: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-(1-oxohexyl)-, compd. with 2-aminoethanol (1:1)
RN: 60557-46-2
InChIKey: LJXDDBRGHBSLBW-LMOVPXPDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-Cl2-N2-O3.C2-H7-N-O

Molecular Weight

  • 464.4305
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60557-46-2

System Generated Number

  • 0060557462

Molecular Formulas

Molecular Formula

  • C19-H28-Cl2-N2-O3.C2-H7-N-O

Molecular Formula Fragments

  • C19-H28-Cl2-N2-O3
  • C2-H7-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28Cl2N2O3.C2H7NO/c1-2-3-4-5-18(24)22-17(19(25)26)14-15-6-8-16(9-7-15)23(12-10-20)13-11-21;3-1-2-4/h6-9,17H,2-5,10-14H2,1H3,(H,22,24)(H,25,26);4H,1-3H2/t17-;/m0./s1

InChIKey

LJXDDBRGHBSLBW-LMOVPXPDSA-N

Smiles

CCCCCC(=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 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 576, 1976.