Isotope Science / Alfa Chemistry

rac Desethyl Oxybutynin-d11 Hydrochloride

Catalog Number ACM1216405150-2
CAS 1216405-15-0
Structure Structure
Synonyms a-(Cyclohexyl-d11)-a-hydroxybenzeneacetic Acid 4-(Ethylamino)-2-butynyl Ester Hydrochloride Salt
IUPAC Name 4-(ethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;hydrochloride
Molecular Weight 376.96
Molecular Formula C20D11H16NO3·HCl
Canonical SMILES Cl.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(O)(C(=O)OCC#CCNCC)c2ccccc2)C([2H])([2H])C1([2H])[2H]
InChI InChI=1S/C20H27NO3.ClH/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18;/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3;1H/i4D2,7D2,8D2,13D2,14D2,18D;
Storage -20 °C
Accurate Mass 376.2448
Alternative CAS Free base: 1216666-48-6
API Family Oxybutynin
Format Neat
Shipping Temperature Room temperature
SIL Type Deuterium
Unlabeled CAS 81039-77-2
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