Mixture of (Z)-3-chloro-Oxybutynin and (Z)-2-chloro-Oxybutynin(Oxybutynin HCI Adduct Impurity)
Product Code
TRC-O868535-100MG
Product Format
Neat
Molecular Formula
2 C22 H32 Cl N O3
Molecular Weight
787.895
Product Categories
Product Information
Chemical Data
Analyte Name
Mixture of (Z)-3-chloro-Oxybutynin and (Z)-2-chloro-Oxybutynin(Oxybutynin HCI Adduct Impurity)
Molecular Formula
2 C22 H32 Cl N O3
Molecular Weight
787.895
Accurate Mass
786.414
SMILES
CCN(CC)C\C=C(/Cl)\COC(=O)C(O)(C1CCCCC1)c2ccccc2.CCN(CC)C\C(=C\COC(=O)C(O)(C3CCCCC3)c4ccccc4)\Cl
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-
IUPAC
[(Z)-2-chloro-4-(diethylamino)but-2-enyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;[(Z)-3-chloro-4-(diethylamino)but-2-enyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat