a-(3-quinuclidinyl)benzhydrol

Names

[ Name ]:
a-(3-quinuclidinyl)benzhydrol

[Synonym ]:
1-Azabicyclo[2.2.2]octane-3-methanol, α,α-diphenyl-
a,a-diphenyl-1-azabicyclo[2.2.2]octane-3-methanol
Quifenadine
(1-Aza-bicyclo[2.2.2]oct-3-yl)-diphenyl-methanol
a-(3-quinuclidinyl)benzhydrol
1-Azabicyclo[2.2.2]oct-3-yl(diphenyl)methanol
Diphenyl-3-quinuclidylcarbinol
Diphenyl-chinuclidin-3-yl-methanol
Chinuclidyl-3-diphenyl-carbinol
a,a-Diphenyl-3-quinuclidinemethanol

Biological Activity

[Description]:

Quifenadine (Compound 3a), the hydroxyl-(diphenyl)methyl quinuclidine derivative, is a M3 receptor antagonist with an IC50 value > 1000 nM. Quifenadine can be used for the research of neurological disease[1].

[Related Catalog]:

Signaling Pathways >> Neuronal Signaling >> mAChR

Signaling Pathways >> GPCR/G Protein >> mAChR

Research Areas >> Neurological Disease

[References]

[1]. Lainé DI, et al. Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists. J Med Chem. 2009 Apr 23;52(8):2493-505.

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
430.2±30.0 °C at 760 mmHg

[ Melting Point ]:
239ºC

[ Molecular Formula ]:
C₂₀H₂₄ClNO

[ Molecular Weight ]:
293.403

[ Flash Point ]:
208.0±23.2 °C

[ Exact Mass ]:
293.177979

[ PSA ]:
23.47000

[ LogP ]:
3.63

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.641

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VD4824600

CHEMICAL NAME :: 3-Quinuclidinemethanol, alpha,alpha-diphenyl-

CAS REGISTRY NUMBER :: 10447-39-9

BEILSTEIN REFERENCE NO. :: 1542055

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H23-N-O

MOLECULAR WEIGHT :: 293.44

WISWESSER LINE NOTATION :: T66 A B CNTJ AXQR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 62 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 10,748,1976

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

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