Analyte Name

Ivabradine Ring Open Form N-Nitroso d6

Molecular Formula

C27H31D6N3O7

Molecular Weight

521.64

Accurate Mass

521.3

SMILES

O=NN(CCC1=C(C=C(C(OC([2H])([2H])[2H])=C1)OC([2H])([2H])[2H])CC(O)=O)CCCN(C)C[C@@H]2C3=CC(OC)=C(OC)C=C3C2

InChI

InChI=1S/C27H37N3O7/c1-29(17-21-11-20-14-25(36-4)26(37-5)16-22(20)21)8-6-9-30(28-33)10-7-18-12-23(34-2)24(35-3)13-19(18)15-27(31)32/h12-14,16,21H,6-11,15,17H2,1-5H3,(H,31,32)/t21-/m1/s1/i2D3,3D3

IUPAC

(S)-2-(2-(2-((3-(((3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)(methyl)amino)propyl)(nitroso)amino)ethyl)-4,5-bis(methoxy-d3)phenyl)acetic Acid

Unlabelled CAS Number

1462470-54-7

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat