Tolcapone

CAS Registry Number®

134308-13-7

CAS Name

Tolcapone

Molecular Formula

C14H11NO5

Molecular Mass

273.24

Cite 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 2024-11-22) (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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration