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Oxybutynin
SpectraBase Compound ID Ka4vwmemehy
InChI InChI=1S/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
InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PL6YNbp6EH
Name 4-(Diethylamino)-2-butynyl cyclohexyl(hydroxy)phenylacetate
Alternate Name(s) 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 4-(diethylamino)but-2-ynyl ester 4-(Diethylamino)-2-butynyl .alpha.-phenylcyclohexaneglycolate 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Cyclohexaneglycolic acid, .alpha.-phenyl-, 4-(diethylamino)-2-butynyl ester Ditropan Oxibutinina Oxibutyninum Oxybutynin Oxybutynine Oxybutyninum Oxytrol 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-(diethylamino)but-2-ynyl ester CCRIS 1923 HSDB 3270
CAS Registry Number 5633-20-5
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Formula C22H31NO3
InChI InChI=1S/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
InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N
Molecular Weight 357.494 g/mol
SMILES OC(C(=O)OCC#CCN(CC)CC)(c1ccccc1)C1CCCCC1
SPLASH splash10-052f-9805000000-990a1222fe800a99b6b3
Source of Spectrum JZ-1992-2123-0
Wiley ID 1346590