Introduction：Basic information about CAS 71119-11-4|Bucindolol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bucindolol |
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| CAS Number | 71119-11-4 | Molecular Weight | 363.453 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 605.3±55.0 °C at 760 mmHg |
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| Molecular Formula | C22H25N3O2 | Melting Point | / |
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| MSDS | / | Flash Point | 319.9±31.5 °C |
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Names
| Name | 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile |
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| Synonym | More Synonyms |
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Bucindolol BiologicalActivity
| Description | Bucindolol is a β1-adrenergic receptor blocker, with intrinsic sympathomimetic activity, used in the research of heart failure[1]. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>GPCR/G Protein >>Adrenergic Receptor |
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| References | [1]. Liggett SB, et al. A polymorphism within a conserved beta(1)-adrenergic receptor motif alters cardiac function and beta-blocker response in human heart failure. Proc Natl Acad Sci U S A. 2006 Jul 25;103(30):11288-93. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 605.3±55.0 °C at 760 mmHg |
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| Molecular Formula | C22H25N3O2 |
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| Molecular Weight | 363.453 |
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| Flash Point | 319.9±31.5 °C |
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| Exact Mass | 363.194672 |
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| PSA | 81.07000 |
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| LogP | 3.19 |
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| Vapour Pressure | 0.0±1.8 mmHg at 25°C |
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| Index of Refraction | 1.632 |
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| InChIKey | FBMYKMYQHCBIGU-UHFFFAOYSA-N |
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| SMILES | CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI4637550
- CHEMICAL NAME :
- Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl) amino)propoxy)-
- CAS REGISTRY NUMBER :
- 71119-11-4
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C22-H25-N3-O2
- MOLECULAR WEIGHT :
- 363.50
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 20200 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0065295
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 9600 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0065295
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Synonyms
| Benzonitrile, 2-[2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethylethyl]amino]propoxy]- |
| 2-(2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propoxy)benzonitrile |
| Bucindolol |
| 2-(2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methyl-2-propanyl]amino}propoxy)benzonitrile |
| 2-[2-Hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethylethyl]amino]propoxy]benzonitrile |
| o-(2-Hydroxy-3-((2-indol-3-yl-1,1-dimethylethyl)amino)propoxy)benzonitrile |
