Analyte Name

Mixture of (Z)-3-chloro-Oxybutynin-d11 and (Z)-2-chloro-Oxybutynin-d11(Oxybutynin HCI Adduct Impurity)

Molecular Formula

2 C22 D11 H21 Cl N O3

Molecular Weight

810.03

Accurate Mass

808.552

SMILES

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(O)(C(=O)OC\C=C(/Cl)\CN(CC)CC)c2ccccc2)C([2H])([2H])C1([2H])[2H].[2H]C3([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(O)(C(=O)OC\C(=C\CN(CC)CC)\Cl)c4ccccc4)C([2H])([2H])C3([2H])[2H]

InChI

InChI=1S/2C22H32ClNO3/c1-3-24(4-2)17-20(23)15-16-27-21(25)22(26,18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-3-24(4-2)16-15-20(23)17-27-21(25)22(26,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h2*5,7-8,11-12,15,19,26H,3-4,6,9-10,13-14,16-17H2,1-2H3/b2*20-15-/i2*6D2,9D2,10D2,13D2,14D2,19D

IUPAC

[(Z)-2-chloro-4-(diethylamino)but-2-enyl] 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;[(Z)-3-chloro-4-(diethylamino)but-2-enyl] 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat