Nitecapone

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]

ATC code

• None

CAS Number

• 116313-94-1

PubChem CID

• 5464105

ChemSpider

• 4576539

Quick facts Clinical data, ATC code ...

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

Close