Analyte Name

Melphalan Dimer-d8 Dihydrochloride

CAS Number

1801709-41-0

Molecular Formula

C26H27D8Cl3N4O4 . 2(HCl)

Molecular Weight

654.91

Accurate Mass

652.18

SMILES

ClC([2H])(C([2H])(N(C1=CC=C(C=C1)C[C@@H](C(OCCN(CCCl)C2=CC=C(C=C2)C[C@@H](C(O)=O)N)=O)N)C([2H])(C([2H])(Cl)[2H])[2H])[2H])[2H].Cl.Cl

InChI

InChI=1S/C26H35Cl3N4O4.2ClH/c27-9-12-32(13-10-28)21-5-3-20(4-6-21)18-24(31)26(36)37-16-15-33(14-11-29)22-7-1-19(2-8-22)17-23(30)25(34)35;;/h1-8,23-24H,9-18,30-31H2,(H,34,35);2*1H/t23-,24-;;/m0../s1/i9D2,10D2,12D2,13D2;;

IUPAC

(S)-2-amino-3-(4-((2-(((S)-2-amino-3-(4-(bis(2-chloroethyl-1,1,2,2-d4)amino)phenyl)propanoyl)oxy)ethyl)(2-chloroethyl)amino)phenyl)propanoic acid dihydrochloride

Unlabelled CAS Number

2238824-44-5 (Mono HCl Salt); 2238824-43-4 (Free base)

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat