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Substance Name: Cinmetacin [INN]
RN: 20168-99-4
InChIKey: NKPPORKKCMYYTO-DHZHZOJOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N-O4

Molecular Weight

  • 349.3841
 
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Names and Synonyms

Name of Substance

  • Cinmetacin [INN]
  • Cinmethacin

Synonyms

  • 1-Cinnamoyl-2-methyl-5-methoxy-3-indolylacetic acid
  • 1-Cinnamoyl-5-methoxy-2-methylindole-3-acetic acid
  • 5-Methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)-1H-indole-3-acetic acid
  • Cindomet
  • Cinmetacin
  • Cinmetacina
  • Cinmetacina [INN-Spanish]
  • Cinmetacine
  • Cinmetacine [INN-French]
  • Cinmetacinum
  • Cinmetacinum [INN-Latin]
  • Cinmethacin
  • EINECS 243-555-6
  • Indolacin
  • S 1290
  • TVX 1764

Systematic Names

  • 1-Cinnamoyl-2-methyl-5-methoxy-3-indolylacetic acid
  • 1-Cinnamoyl-5-methoxy-2-methyl-3-indolylessigsaeure
  • 1-Cinnamoyl-5-methoxy-2-methylindole-3-acetic acid
  • 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)- (9CI)
  • Cinmetacin
  • Indole-3-acetic acid, 1-cinnamoyl-5-methoxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 20168-99-4

System Generated Number

  • 0020168994

Structure Descriptors

InChI

1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)/b11-8+

InChIKey

NKPPORKKCMYYTO-DHZHZOJOSA-N

Smiles

Cc1c(c2cc(ccc2n1C(=O)/C=C/c3ccccc3)OC)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 540mg/kg (540mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: PERITONITIS
Medicamentos de Actualidad. Vol. 15, Pg. 397, 1979.
mouse LD50 intraperitoneal 360mg/kg (360mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1690, 1973.
mouse LD50 oral 685mg/kg (685mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: PERITONITIS
Medicamentos de Actualidad. Vol. 15, Pg. 397, 1979.
rat LD50 intraperitoneal 590mg/kg (590mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1690, 1973.
rat LD50 oral 900mg/kg (900mg/kg) GASTROINTESTINAL: PERITONITIS

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Medicamentos de Actualidad. Vol. 15, Pg. 397, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
log P (octanol-water) 3.780 (none)   EST
Water Solubility 1 mg/L 25 EXP
Atmospheric OH Rate Constant 2.24E-10 cm3/molecule-sec 25 EST

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