Basic information
- Standard SMILES
O[Si](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1- InChIKey
ZNSZQJHTFRQUPD-UHFFFAOYSA-N- Molecular formula
- C20H32FNOSi
- Average molar mass
- 349.6 g/mol
- Monoisotopic mass
- 349.22371939
Names & identifiers
- Preferred name
- 4-Fluorohexahydrosiladifenidol
- IUPAC
- cyclohexyl-(4-fluorophenyl)-hydroxy-(3-piperidin-1-ylpropyl)silane
- English name
- P-FLUORO-HEXAHYDRO-SILA-DIFENIDOL
- Molecular formula
- C20H32FNOSi
- Molecular weight
- 349.56
Names & synonyms
pFHHSiDp-F-Hhsid116679-83-5FHHSiD4-fluorohexahydrosiladifenidolp-Fluoro-hexahydro-sila-difenidolp-Fluoro-hexahydro-sila-diphenidolp-Fluorohexahydrosiladyphenidolcyclohexyl-(4-fluorophenyl)-hydroxy-(3-piperidin-1-ylpropyl)silaneXEO1GM7K2VRefChem:99022p-Fluorohexahydro-sila-difenidol
Show more names
p-FHHSiDp-Fluorohexahydrosiladiphenidolp-fluorohexahydro-sila-difenidol hydrochloridep-Fluorohexahydro-sila-difenidol hydrochlorideCyclohexyl(4-fluorophenyl)(3-piperidinopropyl)silanolCyclohexyl(3-piperidinopropyl)(4-fluorophenyl)silanolHEXAHYDRO-SILA-DIFENIDOL HYDROCHLORIDE P -FLUORO ANALOG (P-F-
Cyclohexyl-(4-fluorophenyl)-hydroxy-[3-(1-piperidyl)propyl]silaneCyclohexyl(4-fluorophenyl)(3-(piperidin-1-yl)propyl)silanolcyclohexyl(4-fluorophenyl)[3-(piperidin-1-yl)propyl]silanolSilanol, cyclohexyl(4-fluorophenyl)(3-(1-piperidinyl)propyl)-Silanol, cyclohexyl(4-fluorophenyl)[3-(1-piperidinyl)propyl]-Silanol, 1-cyclohexyl-1-(4-fluorophenyl)-1-[3-(1-piperidinyl)propyl]-p-Fluorohexahydrosiladifenidolp-pluorohexahydrosiladyphenidol
Database identifiers
- CAS
116679-83-5- PubChem CID
- 3603
- DTXSID
DTXSID60922113- ChEMBL
CHEMBL1256682- UNII
- XEO1GM7K2V
- Nikkaji
- J292.875B
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 447.5 · 447.5±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- solubility
- 2 O: · H2O: 1.5 mg/mL, slightly soluble
- form
- solid
- pka
- 13.74 · 13.74±0.20(Predicted)
- color
- white
- Water Solubility
- 2 O: · H2O: slightly soluble 1.5mg/mL45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >14mg/mLethanol: soluble
- InChI
- 1S/C20H32FNOSi.ClH/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22;/h10-13,19,23H,1-9,14-17H2;1H
- InChIKey
- JMTYYLMGSBSPPK-UHFFFAOYSA-N
- SMILES
- Cl[H].O[Si](CCCN1CCCCC1)(C2CCCCC2)c3ccc(F)cc3
- FDA UNII
- 1 GM7K2V · XEO1GM7K2V
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.
Applications
Usesp-Fluorohexahydro-sila-difenidol is a high affinity M3 muscarinic acetylcholine receptor antagonist.
Suppliers1 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
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Linked notes
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