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Substance Name: Tolcapone [USAN:USP:INN:BAN]
RN: 134308-13-7
UNII: CIF6334OLY
InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-N

Classification Codes

  • Anti-Dyskinesia Agents
  • Antiparkinson Agents
  • Antiparkinsonian
  • Catechol O-Methyltransferase Inhibitors
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Reproductive Effect

Molecular Formula

  • C14-H11-N-O5

Molecular Weight

  • 273.243
 

Names and Synonyms

Name of Substance

  • Tolcapone
  • Tolcapone [USAN:USP:INN:BAN]

Synonyms

  • (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
  • 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
  • CCRIS 7904
  • Ro 40-7592
  • Ro-40-7592
  • Tasmar
  • Tolcapone
  • UNII-CIF6334OLY

Systematic Names

  • Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-
  • Tolcapone

Registry Numbers

CAS Registry Number

  • 134308-13-7

FDA UNII

  • CIF6334OLY

System Generated Number

  • 0134308137

Structure Descriptors

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

MIQPIUSUKVNLNT-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(=O)c1cc(c(c(c1)O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 24(Suppl,
rat LD50 oral > 2gm/kg (2000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 24(Suppl,