General Information of the Compound
| Compound ID |
CP0062485
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| Compound Name |
4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolic acid ester
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| Synonyms |
4-Diethylamino-2-butinyl alpha-cyclohexylmandelat
4-Diethylamino-2-butynyl alpha-phenylcyclohexaneglycolate
5633-20-5
CCRIS 1923
CHEMBL1231
Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-b
Cystrin
Ditropan
Ditropan Xl
HSDB 3270
Lyrinel XL
Oxibutinina
Oxibutinina [INN-Spanish]
Oxibutyninum
Oxybutinin
Oxybutynin (Ditropan)
Oxybutynin Base
Oxybutynin [USAN:INN:BAN]
Oxybutynine
Oxybutynine [INN-French]
Oxybutyninum
Oxybutyninum [INN-Latin]
Oxytrol
oxybutynin topical gel
transdermal patch
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| Structure |
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| Formula |
C22H31NO3
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| Molecular Weight |
357.494
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| Canonical SMILES |
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
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| 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
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| InChIKey |
XIQVNETUBQGFHX-UHFFFAOYSA-N
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| CAS |
5633-20-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04542, Bile salt export pump
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Clinical Information about the Compound