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Substance Name: Indobufen [INN]
RN: 63610-08-2
UNII: 6T9949G4LZ
InChIKey: AYDXAULLCROVIT-UHFFFAOYSA-N

Note

  • Thromboxane A2 antagonist.

Molecular Formula

  • C18-H17-N-O3

Molecular Weight

  • 295.3363
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Cyclooxygenase Inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Hematologic Agents
  • Peripheral Nervous System Agents
  • Platelet Aggregation Inhibitors
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Indobufen
  • Indobufen [INN]

Synonyms

  • (+-)-2-(4-(1,3-Dihydro-1-oxo-2-isoindolyl)buttersaeure
  • (+-)-2-(4-(1-Oxo-2-isoindolinyl)phenyl)buttersaeure
  • (+-)-2-(p-(1-Oxo-2-isoindolinyl)phenyl)butyric acid
  • 1-Oxo-2-(p-((alpha-ethyl)carboxymethyl)phenyl)isoindoline
  • 2-(4-(1-Oxo-2-isoindolinyl)phenyl)butyric acid
  • 4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-alpha-ethyl-benzeneacetic acid
  • EINECS 264-364-4
  • Ibustrin
  • Indobufen
  • Indobufene
  • Indobufene [INN-French]
  • Indobufenum
  • Indobufenum [INN-Latin]
  • K 3920
  • K-3920
  • UNII-6T9949G4LZ

Systematic Names

  • (+-)-2-(p-(1-Oxo-2-isoindolinyl)phenyl)butyric acid
  • Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-ethyl-
  • Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-ethyl-, (+-)-
  • Butyric acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, (+-)-
  • Indobufen

Registry Numbers

CAS Registry Number

  • 63610-08-2

FDA UNII

  • 6T9949G4LZ

Other Registry Number

  • 36690-96-7

System Generated Number

  • 0063610082

Structure Descriptors

InChI

1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)

InChIKey

AYDXAULLCROVIT-UHFFFAOYSA-N

Smiles

N1(c2ccc(cc2)C(C(=O)O)CC)C(=O)c2c(C1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 365mg/kg (365mg/kg)   Drugs of the Future. Vol. 4, Pg. 109, 1979.
mouse LD50 intravenous 370mg/kg (370mg/kg)   Drugs of the Future. Vol. 4, Pg. 109, 1979.
mouse LD50 oral 697mg/kg (697mg/kg)   Drugs of the Future. Vol. 4, Pg. 109, 1979.
rat LD50 intraperitoneal 345mg/kg (345mg/kg)   Drugs of the Future. Vol. 4, Pg. 109, 1979.
rat LD50 intravenous 333mg/kg (333mg/kg)   Drugs of the Future. Vol. 4, Pg. 109, 1979.
rat LD50 oral 373mg/kg (373mg/kg)   Drugs of the Future. Vol. 4, Pg. 109, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 183 deg C   EXP
log P (octanol-water) 2.810 (none)   EST
Atmospheric OH Rate Constant 2.54E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.