Analyte Name

N-Demethyl N-Nitroso Ivabradine d6

Molecular Formula

C26H27D6N3O6

Molecular Weight

489.6

Accurate Mass

489.27

SMILES

COC1=C(C=C2[C@@H](CN(N=O)CCCN(C(CC3=C4)=O)CCC3=CC(OC([2H])([2H])[2H])=C4OC([2H])([2H])[2H])CC2=C1)OC

InChI

InChI=1S/C26H33N3O6/c1-32-22-11-17-6-9-28(26(30)14-18(17)12-23(22)33-2)7-5-8-29(27-31)16-20-10-19-13-24(34-3)25(35-4)15-21(19)20/h11-13,15,20H,5-10,14,16H2,1-4H3/t20-/m1/s1/i1D3,2D3

IUPAC

(S)-N-(3-(7,8-bis(Methoxy-d3)-2-oxo-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)propyl)-N-((3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)nitrous Amide

Unlabelled CAS Number

3017270-16-2

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat