Oxybutynin

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Systematic / IUPAC Name: 4-(Diethylamino)-2-butyn-1-yl cyclohexyl(hydroxy)phenylacetate

ID: Reference3384

Other Names: Ditropan Xl;
Lenditro;
Oxibutyninum;
Oxybutinin;
Oxybutynine ; more

Formula: C22H31NO3

Class: Therapeutics/Prescription Drugs

Spectral Data

Oxybutynin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 56
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/23/2015 3:23:43 PM
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Identificators

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
InChI Key XIQVNETUBQGFHX-UHFFFAOYSA-N
Canonical SMILES CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
CAS 5633205
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Other Names Ditropan Xl;
Lenditro;
Oxibutyninum;
Oxybutinin;
Oxybutynine;
Oxybutyninum;
Transdermal patch;
4-(Diethylamino)-2-butynyl α-phenylcyclohexaneglycolate;
4-(Diethylamino)-2-butynyl α-phenylcyclohexaneglycolic acid ester;
4-(Diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate;
4-(Diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate;
4-(Diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;
4-Diethylamino-2-butinyl α-cyclohexylmandelat;
4-Diethylamino-2-butynyl α-phenylcyclohexaneglycolate;
4-Diethylaminobut-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;
Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-2-butynyl ester;
Cyclohexaneglycolic acid, α-phenyl-, 4-(diethylamino)-2-butynyl ester

In Other Databases

HMDb HMDB15195
ChEBI CHEBI:7856
ChemIDPlus 005633205
ChemSpider 4473
PubChem 4634
KEGG C07360; D00465
DrugBank DB01062
Wikipedia Oxybutynin