Nitecapone References

Nitecapone
Clinical data
ATC code	None;
Identifiers
	IUPAC name 3-[(3,4-Dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione;
CAS Number	116313-94-1;
PubChem CID	5464105;
ChemSpider	4576539;
UNII	98BS722498;
KEGG	D03241;
ChEMBL	ChEMBL167055;
CompTox Dashboard ( EPA)	DTXSID80151347 ;
Chemical and physical data
Formula	C12H11NO6
Molar mass	265.221 g·mol−1
3D model ( JSmol)	Interactive image;
	SMILES [O-][N+](=O)c1cc(\C=C(/C(=O)C)C(=O)C)cc(O)c1O;
	InChI InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3; Key:UPMRZALMHVUCIN-UHFFFAOYSA-N;

Nitecapone ( INN; OR-462) is a drug which acts as a selective inhibitor of the enzyme catechol O-methyl transferase (COMT).^[1]^[2] It was patented as an antiparkinson medication but was never marketed.^[1]

References

^ ^a ^b F.. Macdonald (1997). Dictionary of Pharmacological Agents. CRC Press. p. 1635. ISBN 978-0-412-46630-4. Retrieved 20 May 2012.
^ Nissinen E, Lindén IB, Schultz E, Kaakkola S, Männistö PT, Pohto P (August 1988). "Inhibition of catechol-O-methyltransferase activity by two novel disubstituted catechols in the rat". European Journal of Pharmacology. 153 (2–3): 263–9. doi: 10.1016/0014-2999(88)90614-0. PMID 3181288.

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Clinical data


ATC code	None
Identifiers
IUPAC name 3-[(3,4-Dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
CAS Number	116313-94-1
PubChem CID	5464105
ChemSpider	4576539
UNII	98BS722498
KEGG	D03241
ChEMBL	ChEMBL167055
CompTox Dashboard ( EPA)	DTXSID80151347
Chemical and physical data
Formula	C₁₂H₁₁NO₆
Molar mass	265.221 g·mol⁻¹
3D model ( JSmol)	Interactive image
SMILES [O-][N+](=O)c1cc(\C=C(/C(=O)C)C(=O)C)cc(O)c1O
InChI InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3 Key:UPMRZALMHVUCIN-UHFFFAOYSA-N