Analyte Name

Nequinate D7 (Benzyl D7)

CAS Number

1584701-10-9

Molecular Formula

C22 D7 H16 N O4

Molecular Weight

372.466

Accurate Mass

372.207

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])Oc2cc3NC=C(C(=O)OC)C(=O)c3cc2CCCC

InChI

InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)/i5D,6D,7D,8D,9D,14D2

IUPAC

methyl 6-butyl-7-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylate

Unlabelled CAS Number

13997-19-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat