Vesamicol
Basic information
- CAS
22232-64-0- Standard SMILES
OC1CCCCC1N1CCC(c2ccccc2)CC1- InChIKey
YSSBJODGIYRAMI-UHFFFAOYSA-N- Molecular formula
- C17H25NO
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.19361442
Overview
2-(4-phenyl-1-piperidinyl)-1-cyclohexanol is a member of piperidines.
Names & identifiers
- Preferred name
- Vesamicol
- IUPAC
- 2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
- English name
- (+/-)-Vesamicol hydrochloride
- Molecular formula
- C17H25NO
- Molecular weight
- 259.39
Names & synonyms
vesamicol22232-64-02-(4-Phenyl-1-piperidinyl)cyclohexanol2-(4-Phenylpiperidino)cyclohexanolDTXSID701009898AH-5183vesamicol, (+,-)-RefChem:934009DTXCID601442982vesamicol hydrochloride, (+,-)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-olCHEMBL20943
Show more names
AH5183 HCL(+/-)-Vesamicol hydrochlorideCyclohexanol, 2-(4-phenyl-1-piperidinyl)-(+/-)-TRANS-2-(4-PHENYLPIPERIDINYL)CYCLOHEXANOL HYDROCHLORIDE
2-(4-Phenyl-piperidin-1-yl)-cyclohexanolMLS0005543502-(4-phenylpiperidin-1-yl)cyclohexanolSMR000146667Cyclohexanol,2-(4-phenyl-1-piperidinyl)-, hydrochloride (1:1)V-100Spectrum_000292Opera_ID_322
Database identifiers
- CAS
22232-64-0- PubChem CID
- 5662
- DTXSID
DTXSID701009898- ChEMBL
CHEMBL20730、CHEMBL20943- ChEBI
CHEBI:103974- Nikkaji
- J20.569I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
Solubility>38.9 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section162.53 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- storage temp.
- Store at RT
- form
- Solid
- color
- White to off-white
- FDA UNII
- 29 SQS860M · N29SQS860M
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that interrupt transmission at the skeletal neuromuscular junction by causing sustained depolarization of the motor end plate. These agents are primarily used as adjuvants in surgical anesthesia to cause skeletal muscle relaxation.
Applications
UsesVesamicol is a compound used to synthesize radiolabeled derivatives that can be used as sigma receptor ligands for tumor targeting inhibition and have shown certain potential in cellular uptake, biodistribution and inhibition experiments.
Additional notes
DefinitionChEBI: 2-(4-phenyl-1-piperidinyl)-1-cyclohexanol is a member of piperidines.
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