OXYBUTININ
oxybutynin
CAS: 5633-20-5
Molecular Formula: C22H31NO3
OXYBUTININ - Names and Identifiers
| Name | oxybutynin |
| Synonyms | OXYBUTININ oxybutynin Oxibutynin 4-diethylamino-2-butynylalpha-phenylcyclohexaneglycolate alpha-phenyl-cyclohexaneglycolicaci4-(diethylamino)-2-butynylester 4-(diethylaMino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate alpha-cyclohexyl-alpha-hydroxy-benzeneaceticaci4-(diethylamino)-2-butynyl α-cyclohexyl-α-hydroxy-benzeneacetic acid-4-(diethylamino)-2-butyn-1-yl ester Benzeneacetic acid, a-cyclohexyl-a-hydroxy-,4-(diethylaMino)-2-butyn-1-yl ester Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester |
| CAS | 5633-20-5 |
| EINECS | 630-332-7 |
| InChI | InChI=1/C22H31NO3/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 |
OXYBUTININ - Physico-chemical Properties
| Molecular Formula | C22H31NO3 |
| Molar Mass | 357.49 |
| Density | 1.097±0.06 g/cm3(Predicted) |
| Boling Point | 494.4±45.0 °C(Predicted) |
| pKa | 8.04(at 25℃) |
| Storage Condition | Inert atmosphere,Room Temperature |
| In vitro study | In human liver microsomes in vitro, Oxybutynin N-deethylation was effectively inhibited by ketoconazole (IC50 4.5 mM), which was weakly and unstably inhibited by itraconazole, quinidine and several other reference inhibitors had no effect on it, indicating that the CYP3A enzyme is the main catalyst for this reaction. Oxybutynin inhibits cyp3a4-and cyp2d6-related activities (testosterone 6β-hydroxylase and dextromethorphan O-demethylase, respectively) in human liver microsomes. Oxybutynin is mainly metabolized by CYP3A4 and CYP3A5, but not by CYP2D6. Oxybutynin (30, 100 nM) competitively antagonized acetylcholine-induced contraction, but did not alter histamine-induced contraction. Oxybutynin (up to 10 mM) produced noncompetitive inhibition of the responses to both agonists and caused a parallel rightward shift of ca2-induced contractions on The cecal band (immersed in ca2-free High-K medium). Oxybutynin (1-10 mM) impaired rhythmic muscle contractions in common medium after addition of CaCl2 to ca2-free medium. In perfused rat liver, Oxybutynin increased the perfusion pressure from 100 mM concentration. Oxybutynin also increases the perfusion pressure of the hepatic artery. |
| In vivo study | Oxybutynin significantly reduced the binding of ()N-[(11)C]methyl-3-piperidyl benzilate ([(11)C]( )3-MPB) in rat cerebral cortex and striatum in a dose-dependent manner (BP). In the obstructed rat, Oxybutynin induced a significant decrease in micturition pressure without altering the BVC. |
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