Basic information
- CAS
112709-60-1- Standard SMILES
O[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1- InChIKey
YSSBJODGIYRAMI-IRXDYDNUSA-N- Molecular formula
- C17H25NO
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.19361442
Overview
See also: D(+)-Vesamicol hydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- (1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
- IUPAC
- trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
- English name
- D(+)-Vesamicol hydrochloride
- Molecular formula
- C17H25NO
- Molecular weight
- 259.39
Names & synonyms
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanolRefChem:394000112709-60-1CHEMBL277861A1LWL(+)-VesamicolD-(+)-VESAMICOL(1S,2S)-VesamicolD-(+)-Vesamicol HClSCHEMBL4499984Cyclohexanol, 2-(4-phenyl-1-piperidinyl)-, 1S-trans-BDBM50018120
Show more names
D(+)-VESAMICOL HCL1s-trans-cyclohexanoD(+)-Vesamicol hydrochlorideD-(+)-Vesamicol hydrochlorideCyclohexanol, 2-(4-phenyl-1-piperidinyl)-, (1S,2S)-
AT38144PD119118Cyclohexanol, 2-(4-phenyl-1-piperidinyl)-
Database identifiers
- CAS
112709-60-1、22232-64-0- PubChem CID
- 833992
- ChEMBL
CHEMBL277861- Nikkaji
- J404.507F
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
Physicochemical properties
- Boiling point
- 393.5 · 393.5±42.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- solubility
- DMSO: soluble
- form
- solid
- pka
- 15.16 · 15.16±0.40(Predicted)
- color
- white
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 765070 · GW0765070
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- GW0765070
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
UsesD-(+)-Vesamicol hydrochloride can be used as a reactant to prepare: Trialkylstannyl vesamicol analogs as potent vesicular acetylcholine transporters (VAChTs) and sigma receptors. Vesamicol analog, (+)-2-[4-(4-iodophenyl)piperidino] cyclohexanol as a possible tumor imaging agent.
General DescriptionD-(+)-Vesamicol is a potent inhibitor of acetycholine transport into the synaptic vesicles in cholinergic nerve terminals. It is 25-times less potent than the L-form.
Suppliers5 total
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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