Basic information
- CAS
119618-21-2- Standard SMILES
CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1- InChIKey
XIQVNETUBQGFHX-QFIPXVFZSA-N- Molecular formula
- C22H31NO3
- Average molar mass
- 357.5 g/mol
Overview
(R)-oxybutynin is a 4-(diethylamino)but-2-yn-1-ol that has R configuration. It is responsible for virtually all of the antimuscarinic activity of (racemic) oxybutynin. It has a role as a local anaesthetic, a calcium channel blocker and a cholinergic antagonist. It is an enantiomer of an esoxybutynin.
Names & identifiers
- Preferred name
- Aroxybutynin
- IUPAC
- 4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
- English name
- (R)-OXYBUTYNIN CHLORIDE
- Molecular formula
- C22H31NO3
- Molecular weight
- 357.49
Names & synonyms
(r)-oxybutyninAroxybutyninOxybutynin, (-)-OXYBUTYNIN, (R)-UNII-5BRQ29UUB7CHEBI:1445524-(diethylamino)but-2-yn-1-yl (2R)-cyclohexyl(hydroxy)phenylacetateRefChem:199631119618-21-2(-)-Oxybutyninr-oxybutynin4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
Show more names
(R)-OXYBUTYNIN HCLOxybutynin Impurity 7(R)-Oxybutynin hydrochloride4-(diethylamino)but-2-yn-1-yl (R)-2-cyclohexyl-2-hydroxy-2-phenylacetate(αR)-α-Cyclohexyl-α-hydroxybenzeneacetic acid 4-(diethylamino)-2-butin-1-yl esterBenzeneacetic acid, a-cyclohexyl-a-hydroxy-, 4-(diethylamino)-2-butynyl ester, (R)-(R)-α-Phenylcyclohexaneglycolic Acid 4-(Diethylamino)-2-butynyl Ester, Hydrochloride(R)-A-PHENYLCYCLOHEXANEGLYCOLIC ACID 4-(DIETHYLAMINO)-2-BUTYNYL ESTER, HYDROCHLORIDE
5BRQ29UUB7CHEMBL185434(R)-Oxybutynin ChlorideBenzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butyn-1-yl ester, (alphaR)-AroxybutyninaAroxybutynine4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetatearoxybutynin [INN]
Database identifiers
- CAS
119618-21-2- PubChem CID
- 6098167
- ChEMBL
CHEMBL185434- ChEBI
CHEBI:144552- UNII
- 5BRQ29UUB7
- Nikkaji
- J386.305K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Melting point
- 52 · 52-54°C
- Boiling point
- 494.4 · 494.4±45.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- solubility
- Chloroform, (Slightly) Ethanol (Slightly)
- form
- Solid
- pka
- 11.95 · 11.95±0.29(Predicted)
- color
- White to Off-White
- FDA UNII
- 5 BRQ29UUB7 · 5BRQ29UUB7
Chemistry & industry
Applications
UsesThe optically avtice inhibitor of proliferation and supresses gene expression in bladder smooth muscle cells
Suppliers16 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海药砌源生物科技有限公司15026428026 19002516454 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
广州瑞芯康化工产品有限责任公司18027422796 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Additional notes
DefinitionChEBI: (R)-oxybutynin is a 4-(diethylamino)but-2-yn-1-ol that has R configuration. It is responsible for virtually all of the antimuscarinic activity of (racemic) oxybutynin. It has a role as a cholinergic antagonist, a calcium channel blocker and a local anaesthetic. It is an enantiomer of an esoxybutynin.
Related reactions
1 records
Compound notes
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