Introduction：Basic information about CAS 134612-80-9|3-O-Methyl Tolcapone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-O-Methyl Tolcapone |
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| CAS Number | 134612-80-9 | Molecular Weight | 315.32100 |
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| Density | 1.317g/cm3 | Boiling Point | 474.8ºC at 760mmHg |
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| Molecular Formula | C15H13NO5 | Melting Point | / |
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| MSDS | / | Flash Point | 240.9ºC |
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Names
| Name | 3-O-Methyl Tolcapone |
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| Synonym | More Synonyms |
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3-O-Methyl Tolcapone BiologicalActivity
| Description | 3-O-Methyltolcapone (Ro 40-7591) is a metabolite of Tolcapone. Tolcapone is an orally active, reversible, selective and potent COMT inhibitor. Tolcapone crosses the blood-brain barrier, and can be used for treatment of Parkinson's disease[1][2]. |
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| Related Catalog | Signaling Pathways >>Neuronal Signaling >>COMTResearch Areas >>Neurological DiseaseSignaling Pathways >>Metabolic Enzyme/Protease >>COMT |
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| Target | COMT[1][2] |
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| References | [1]. Jorga K, et al. Metabolism and excretion of tolcapone, a novel inhibitor of catechol-O-methyltransferase. Br J Clin Pharmacol. 1999 Oct;48(4):513-20. [2]. Ceravolo R, et al. 18F-dopa PET evidence that tolcapone acts as a central COMT inhibitor in Parkinson's disease. Synapse. 2002 Mar 1;43(3):201-7. |
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Chemical & Physical Properties
| Density | 1.317g/cm3 |
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| Boiling Point | 474.8ºC at 760mmHg |
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| Molecular Formula | C15H13NO5 |
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| Molecular Weight | 315.32100 |
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| Flash Point | 240.9ºC |
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| Exact Mass | 315.11100 |
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| PSA | 92.35000 |
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| LogP | 3.49490 |
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| Vapour Pressure | 1.23E-09mmHg at 25°C |
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| Index of Refraction | 1.613 |
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| Storage condition | 2-8°C |
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Safety Information
| Hazard Codes | Xi |
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| RIDADR | NONH for all modes of transport |
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| HS Code | 2914700090 |
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Customs
| HS Code | 2914700090 |
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| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| 1-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(p-tolyl)propan-2-one |
| (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone |
