3-O-Methyl Tolcapone

Modify Date: 2025-08-25 20:01:34

3-O-Methyl Tolcapone structure	Common Name	3-O-Methyl Tolcapone
	CAS Number	134612-80-9	Molecular Weight	315.32100
	Density	1.317g/cm3	Boiling Point	474.8ºC at 760mmHg
	Molecular Formula	C₁₅H₁₃NO₅	Melting Point	N/A
	MSDS	N/A	Flash Point	240.9ºC

Use of 3-O-Methyl Tolcapone

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
Synonym	More Synonyms

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	Signaling Pathways >> Neuronal Signaling >> COMT Research Areas >> Neurological Disease Signaling Pathways >> Metabolic Enzyme/Protease >> COMT
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

N/A

CAS#:93899-23-1

3-O-Methyl Tolcapone

CAS#: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%