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134612-80-9

134612-80-9 structure
134612-80-9 structure
  • Name: 3-O-Methyl Tolcapone
  • Chemical Name: 3-O-Methyl Tolcapone
  • CAS Number: 134612-80-9
  • Molecular Formula: C15H13NO5
  • Molecular Weight: 315.32100
  • Catalog: Signaling Pathways Metabolic Enzyme/Protease COMT
  • Create Date: 2018-12-28 18:09:46
  • Modify Date: 2024-01-03 07:48:13
  • 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].

Name 3-O-Methyl Tolcapone
Synonyms 1-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(p-tolyl)propan-2-one
(4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
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].
Related Catalog
Target

COMT[1][2]

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.

Density 1.317g/cm3
Boiling Point 474.8ºC at 760mmHg
Molecular Formula C15H13NO5
Molecular Weight 315.32100
Flash Point 240.9ºC
Exact Mass 315.11100
PSA 92.35000
LogP 3.49490
Vapour Pressure 1.23E-09mmHg at 25°C
Index of Refraction 1.613
Storage condition 2-8°C
Hazard Codes Xi
RIDADR NONH for all modes of transport
HS Code 2914700090

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134612-80-9 structure

134612-80-9

Literature: US5236952 A1, ;
HS Code 2914700090
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%