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10447-39-9

10447-39-9 structure
10447-39-9 structure
  • Name: a-(3-quinuclidinyl)benzhydrol
  • Chemical Name: 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol
  • CAS Number: 10447-39-9
  • Molecular Formula: C20H24ClNO
  • Molecular Weight: 293.403
  • Catalog: Signaling Pathways GPCR/G Protein mAChR
  • Create Date: 2018-05-27 08:00:00
  • Modify Date: 2024-01-07 15:06:36
  • 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].

Name 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol
Synonyms 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
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
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.  

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

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
HS Code 2933990090
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%