Molecular properties
- Formula
- C22H31NO3
- Molar mass
- 357.49 g·mol−1
- Exact mass
- 357.2304 Da
- 8
- PubChem CID
- 4634
Molecule record
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
C22H31NO3
357.49 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Alkyne
Aromatic ring
Ester
Ether
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 4-Diethylamino-2-butinyl alpha-cyclohexylmandelat
- 4-Diethylamino-2-butynyl alpha-phenylcyclohexaneglycolate
- 5633-20-5
- Anturol
- Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester
- CHEBI:7856
- Contimin 2.5
- Contimin 5
Show all 24 synonyms
- Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester
- Cystrin
- DTXSID0023406
- Dridase
- K9P6MC7092
- Lyrinel XL
- Oxibutinina
- Oxybutynine
- Oxybutyninum
- Oxytrol
- Oxytrol for Women
- Promictuline
- RefChem:58311
- Urimin
- kentera
- oxybutynin
Structure identifiers
- Canonical SMILES
- CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
- Isomeric SMILES
- CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
- 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
- PubChem CID
- 4634
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.