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Substance Name: Nitecapone [INN]
RN: 116313-94-1
UNII: 98BS722498
InChIKey: UPMRZALMHVUCIN-UHFFFAOYSA-N

Molecular Formula

  • C12-H11-N-O6

Molecular Weight

  • 265.22
 

Classification Codes

  • Anti-Dyskinesia Agents
  • Anti-Ulcer Agents
  • Antioxidants
  • Antiparkinson Agents
  • Catechol O-Methyltransferase Inhibitors
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Gastrointestinal Agents
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Nitecapone
  • Nitecapone [INN]

Synonyms

  • 3-((3,4-Dihydroxy-5-nitrophenyl)methylene)-2,4-pentanedione
  • BRN 6420063
  • Nitecapona
  • Nitecapona [INN-Spanish]
  • Nitecapone
  • Nitecaponum
  • Nitecaponum [INN-Latin]
  • OR 462
  • OR-462
  • OR462
  • UNII-98BS722498

Systematic Names

  • 2,4-Pentanedione, 3-((3,4-dihydroxy-5-nitrophenyl)methylene)-
  • 3-(3,4-Dihydroxy-5-nitrobenzylidene)-2,4-pentanedione

Registry Numbers

CAS Registry Number

  • 116313-94-1

FDA UNII

  • 98BS722498

System Generated Number

  • 0116313941

Structure Descriptors

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

InChIKey

UPMRZALMHVUCIN-UHFFFAOYSA-N

Smiles

Oc1c(cc(cc1O)\C=C(\C(C)=O)C(=O)C)[N+]([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 507mg/kg (507mg/kg)   Pharmacology and Toxicology Vol. 69, Pg. 64, 1991.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Pharmacology and Toxicology Vol. 69, Pg. 64, 1991.