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Oxybutynin-[d11] Hydrochloride

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General Information
Catalog: BLP-012501
CAS: 1185151-95-4
Molecular Formula: C22H21D11ClNO3
Molecular Weight: 405.01

Chemical Structure

Description	Oxybutynin-[d11] Hydrochloride is the labelled analogue of Oxybutynin. Oxybutynin is an anticholinergic medication used to relieve urinary and bladder difficulties.
Synonyms	Oxybutynin D11 Hydrochloride; α-Phenylcyclohexane-d11-glycolic Acid 4-(Diethylamino)-2-butynyl Ester, Hydrochloride
IUPAC Name	4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;hydrochloride
Related CAS	1508-65-2 (unlabelled)
Canonical SMILES	CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
InChI	InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H/i6D2,9D2,10D2,15D2,16D2,20D;
InChI Key	SWIJYDAEGSIQPZ-JPELPYLWSA-N
Melting Point	122-124°C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C