Analyte Name

(R)-Hydroxymelphalan Trifluoroacetic Acid Salt

Molecular Formula

C15H20ClF3N2O5

Molecular Weight

400.78

Accurate Mass

400.1

SMILES

OCCN(CCCl)C1=CC=C(C[C@@H](N)C(O)=O)C=C1.OC(C(F)(F)F)=O

InChI

InChI=1S/C13H19ClN2O3.C2HF3O2/c14-5-6-16(7-8-17)11-3-1-10(2-4-11)9-12(15)13(18)19;3-2(4,5)1(6)7/h1-4,12,17H,5-9,15H2,(H,18,19);(H,6,7)/t12-;/m1./s1

IUPAC

(R)-2-amino-3-(4-((2-chloroethyl)(2-hydroxyethyl)amino)phenyl)propanoic acid--2,2,2-trifluoroacetic acid (1/1)

Alternate CAS Number

61733-01-5 (S-enantiomer, free amine)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat