N-Nitroso Cilazapril (Phenyl-D5)

Analyte Name

N-Nitroso Cilazapril (Phenyl-D5)

Molecular Formula

C22 D5 H25 N4 O6

Molecular Weight

451.528

Accurate Mass

451.248

SMILES

[2H]c1c([2H])c([2H])c(CCC(N(N=O)[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O)C(=O)OCC)c([2H])c1[2H]

InChI

InChI=1S/C22H30N4O6/c1-2-32-22(30)19(13-12-16-8-4-3-5-9-16)25(23-31)17-10-6-14-24-15-7-11-18(21(28)29)26(24)20(17)27/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3,(H,28,29)/t17-,18-,19?/m0/s1/i3D,4D,5D,8D,9D

IUPAC

(4S,7S)-7-[[1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]-nitrosoamino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Cilazapril