Analyte Name

Melphalan Isopropyl Ester Hydrochloride-D7

Molecular Formula

C16 D7 H17 Cl2 N2 O2 . H Cl

Molecular Weight

390.784

Accurate Mass

389.142

SMILES

Cl.[2H]C([2H])([2H])C([2H])(OC(=O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl)C([2H])([2H])[2H]

InChI

InChI=1S/C16H24Cl2N2O2.ClH/c1-12(2)22-16(21)15(19)11-13-3-5-14(6-4-13)20(9-7-17)10-8-18;/h3-6,12,15H,7-11,19H2,1-2H3;1H/t15-;/m0./s1/i1D3,2D3,12D;

IUPAC

1,1,1,2,3,3,3-heptadeuteriopropan-2-yl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrochloride

Unlabelled CAS Number

757234-98-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat