CAS Number10447-39-9
Synonymsa,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
Molecular FormulaC20H24ClNO
Molecular Weight293.403
Purity96+%
Density1.2±0.1 g/cm3
Boiling Point430.2±30.0 °C at 760 mmHg
Melting Point239ºC
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 10447-39-9 |
| Catalog No. | 2A-1152616 |
| Chinese Name | 芬卡醇 |
| Synonyms | 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 |
| Molecular Formula | C20H24ClNO |
| Molecular Weight | 293.403 |
| Purity | 96+ |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 430.2±30.0 °C at 760 mmHg |
| Melting Point | 239ºC |
| Application | Quifenadine (Compound 3a) is a hydroxy-(diphenyl)methyl quinuclidine derivative and an M3 receptor antagonist with an IC50 value > 1000 nM. Quifenadine is used in the study of neurological disorders. |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| PubChem ID | 4084388 |
| SMILES | OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2 |
| InChI | InChI=1S/C20H23NO.ClH/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21;/h1-10,16,19,22H,11-15H2;1H |
| InChI Key | PZMAHNDJABQWGS-UHFFFAOYSA-N |
| Use of | 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]. Properties Name 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol Synonym More Synonyms a-(3-quinuclidinyl)benzhydrol 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 Exact Mass 293.177979 PSA 23.47000 Index of Refraction 1.641 InChIKey PZMAHNDJABQWGS-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 3-Quinuclidinemethanol, alpha,alpha-diphenyl- CAS REGISTRY NUMBER : 10447-39-9 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C20-H23-N-O MOLECULAR WEIGHT : 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 : 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 Total: 1 Page methyl 1-azabic... CAS#:38206-86-9 phenylmagnesium... CAS#:100-58-3 a-(3-quinuclidi... CAS#:10447-39-9 Literature: Journal of Medicinal Chemistry, , vol. 52, # 8 p. 2493 - 2505 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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