API0232242
Tolcapone
Tolcapone is a COMT inhibitor used for Parkinson’s disease.
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CAS No.
134308-13-7
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Synonyms
Tolcapone; 134308-13-7; 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
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CHEMBL ID
CHEMBL1324
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Molecule Type
Small molecule
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Compound CID
4659569
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Molecular Weight (g/mol)
273.24
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Molecular Formula
C14H11NO5
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InChI
InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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InChIKey
MIQPIUSUKVNLNT-UHFFFAOYSA-N
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SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
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IUPAC Name
(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
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Exact Mass (Da)
273.06372245
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Monoisotopic Mass (Da)
273.06372245
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