Analyte Name

Quinapril Benzyl Ester Maleate

CAS Number

82586-54-7

Molecular Formula

C32 H36 N2 O5 . C4 H4 O4

Molecular Weight

644.71

Accurate Mass

644.2734

SMILES

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)OCc4ccccc4.OC(=O)\C=C/C(=O)O

InChI

InChI=1S/C32H36N2O5.C4H4O4/c1-3-38-31(36)28(19-18-24-12-6-4-7-13-24)33-23(2)30(35)34-21-27-17-11-10-16-26(27)20-29(34)32(37)39-22-25-14-8-5-9-15-25;5-3(6)1-2-4(7)8/h4-17,23,28-29,33H,3,18-22H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t23-,28-,29-;/m0./s1

IUPAC

benzyl (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate;(Z)-but-2-enedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Quinapril Hydrochloride