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Substance Name: 1,3-DP-melphalan
RN: 144558-52-1
InChIKey: NBKIVYGYYZKPLC-GWHBCOKCSA-N

Molecular Formula

  • C48-H84-Cl2-N2-O6

Molecular Weight

  • 856.106
 
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Names and Synonyms

Results Name

  • 1,3-DP-melphalan

Name of Substance

  • 1,3-Dipalmitoyl-2-(4'-(bis(2''-chloroethyl)amino)phenylalaninoyl)glycerol

Synonyms

  • 1,3-DP-melphalan
  • 4-(Bis(2-chloroethyl)amino)-L-phenylalanine 2-((1-oxohexadecyl)oxy)-1-(((1-oxohexadecyl)oxy)methyl)ethyl ester

Systematic Name

  • L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-, 2-((1-oxohexadecyl)oxy)-1-(((1-oxohexadecyl)oxy)methyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 144558-52-1

System Generated Number

  • 0144558521

Structure Descriptors

InChI

1S/C48H84Cl2N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-46(53)56-40-44(41-57-47(54)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-48(55)45(51)39-42-31-33-43(34-32-42)52(37-35-49)38-36-50/h31-34,44-45H,3-30,35-41,51H2,1-2H3/t45-/m0/s1

InChIKey

NBKIVYGYYZKPLC-GWHBCOKCSA-N

Smiles

C([C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl)(=O)OC(COC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O