Analyte Name

L-DOPA Ethyl Ester Citrate

CAS Number

529475-31-8

Molecular Formula

C11H15NO4 • C6H8O7

Molecular Weight

417.36

Accurate Mass

417.13

SMILES

OC(CC(C(O)=O)(O)CC(O)=O)=O.O=C([C@@H](N)CC1=CC=C(O)C(O)=C1)OCC

InChI

InChI=1S/C11H15NO4.C6H8O7/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6,8,13-14H,2,5,12H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t8-;/m0./s1

IUPAC

ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate 2-hydroxypropane-1,2,3-tricarboxylate

Alternate CAS Number

37178-37-3

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat