Basic information
- CAS
10447-39-9- Standard SMILES
OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2- InChIKey
PZMAHNDJABQWGS-UHFFFAOYSA-N- Molecular formula
- C20H23NO
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.17796436
Overview
Quifenadine is a diarylmethane.
Names & identifiers
- Preferred name
- Quifenadine
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol
- English name
- (3-Quinuclidinyl)diphenyl carbinol hydrochloride
- Molecular formula
- C20H23NO
- Molecular weight
- 293.4
Names & synonyms
Quifenadine10447-39-9QuifenadinumquifenadinaDTXSID6046187alpha,alpha-Diphenyl-3-quinuclidinemethanolW9A18RJ49BDTXCID4026187{1-azabicyclo[2.2.2]octan-3-yl}diphenylmethanol(1-azabicyclo(2.2.2)octan-3-yl)diphenylmethanolquinuclidinyl-3-diphenylcarbinolRefChem:178137
Show more names
Diphenyl(quinuclidin-4-yl)MethanolQC-PHCS-104PHENCAROLQUIFENADINE/FENCAROLQUIFENADINE HYDROCHLORIDEDiphenyl-3-quinuclidylcarbinolα,α-Diphenyl-3-quinuclidinemethanol1-azabicyclo[2.2.2]oct-8-yl-diphenyl-methanol
R06AX31Quifenadine [INN]Diphenyl(quinuclidin-3-yl)methanol1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol1-azabicyclo[2.2.2]oct-3-yl(diphenyl)methanolFenkarolQuifenadine (INN)NCGC00160492-01
Database identifiers
- CAS
10447-39-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 239 ℃ · 239℃
- Boiling point
- 430.2 · 430.2±30.0 °C(Predicted)
- Density
- 1.17 · 1.17
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
- pka
- 13.26 · 13.26±0.29(Predicted)
- form
- Solid
- color
- White to Pale Beige
- Stability
- Hygroscopic
- FDA UNII
- 9 A18RJ49B · W9A18RJ49B
- ATC code
- 6 AX31 · R06AX31
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationDrugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only.
Applications
UsesQuifenadine is used in the biological studies of azoniabicyclooctanes as muscarinic acetylcholine receptor antagonists.
Suppliers20 total
China Kouting Group Limited+86 (21) 5811-6473 5811-6475 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
赛纳斯特化学（欢迎点击联系）021-60343070
上海寰川实业有限公司021-61478794 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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
No reaction records under the current filter.
Compound notes
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