Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-(1-oxodecyl)-, compd. with 2-aminoethanol (1:1)
RN: 60557-48-4
InChIKey: ZIYWMAIOEXEKIX-BQAIUKQQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H40-Cl2-N2-O3.C2-H7-N-O

Molecular Weight

  • 548.5913
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60557-48-4

System Generated Number

  • 0060557484

Molecular Formulas

Molecular Formula

  • C25-H40-Cl2-N2-O3.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C25-H40-Cl2-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H40Cl2N2O3.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-24(30)28-23(25(31)32)20-21-12-14-22(15-13-21)29(18-16-26)19-17-27;3-1-2-4/h12-15,23H,2-11,16-20H2,1H3,(H,28,30)(H,31,32);4H,1-3H2/t23-;/m0./s1

InChIKey

ZIYWMAIOEXEKIX-BQAIUKQQSA-N

Smiles

CCCCCCCCCCCC(=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 100mg/kg (100mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 576, 1976.