Introduction：Basic information about CAS 10447-39-9|a-(3-quinuclidinyl)benzhydrol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | a-(3-quinuclidinyl)benzhydrol |
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| CAS Number | 10447-39-9 | Molecular Weight | 293.403 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 430.2±30.0 °C at 760 mmHg |
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| Molecular Formula | C20H24ClNO | Melting Point | 239ºC |
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| MSDS | / | Flash Point | 208.0±23.2 °C |
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Names
| Name | 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol |
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| Synonym | More Synonyms |
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a-(3-quinuclidinyl)benzhydrol BiologicalActivity
| 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]. |
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| Related Catalog | Signaling Pathways >>Neuronal Signaling >>mAChRSignaling Pathways >>GPCR/G Protein >>mAChRResearch Areas >>Neurological Disease |
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| 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. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 430.2±30.0 °C at 760 mmHg |
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| Melting Point | 239ºC |
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| Molecular Formula | C20H24ClNO |
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| Molecular Weight | 293.403 |
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| Flash Point | 208.0±23.2 °C |
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| Exact Mass | 293.177979 |
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| PSA | 23.47000 |
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| LogP | 3.63 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.641 |
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| InChIKey | PZMAHNDJABQWGS-UHFFFAOYSA-N |
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| SMILES | OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2 |
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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 DATAACUTE 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
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Safety Information
Customs
| HS Code | 2933990090 |
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| 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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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 |
