Tolcapone
CAS Registry Number®
134308-13-7
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CAS Name
TolcaponeMolecular Formula
C14H11NO5Molecular Mass
273.24Cite this Page
Tolcapone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=134308-13-7 (retrieved ) (CAS RN: 134308-13-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
141-143 °C
Source(s)
Other Names and Identifiers
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
InChIKey
InChIKey=MIQPIUSUKVNLNT-UHFFFAOYSA-N
SMILES
C(=O)(C1=CC(N(=O)=O)=C(O)C(O)=C1)C2=CC=C(C)C=C2
Canonical SMILES
O=C(C1=CC=C(C=C1)C)C2=CC(O)=C(O)C(=C2)N(=O)=O
Other Names for this Substance
- Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-
- (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
- Ro 40-7592
- Tolcapone
- 3,4-Dihydroxy-4′-methyl-5-nitrobenzophenone
