Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Clometacin [INN:DCF]
RN: 25803-14-9
UNII: L9M34YK25C
InChIKey: DGMZLCLHHVYDIS-UHFFFAOYSA-N

Classification Codes

  • Analgesics
  • Central Nervous System Agents
  • Peripheral Nervous System Agents
  • Sensory System Agents

Molecular Formula

  • C19-H16-Cl-N-O4

Molecular Weight

  • 357.7914
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Clometacin
  • Clometacin [INN:DCF]

Synonyms

  • 3-(p-Chlorobenzyl)-6-methoxy-2-methyl-1-indoleacetic acid
  • 5-21-12-00658 (Beilstein Handbook Reference)
  • Acidum mindolicum
  • BRN 1552200
  • C 1656
  • Carboxymethyl-1 methyl-2 p.chlorobenzoyl-3 indole
  • Carboxymethyl-1 methyl-2 p.chlorobenzoyl-3 indole [French]
  • Clometacin
  • Clometacina
  • Clometacina [INN-Spanish]
  • Clometacine
  • Clometacine [INN-French]
  • Clometacinum
  • Clometacinum [INN-Latin]
  • Clometazin
  • Clomethacin
  • Duperan
  • EINECS 247-271-3
  • R 3959
  • RU 3959
  • UNII-L9M34YK25C

Systematic Names

  • 1H-Indole-1-acetic acid, 3-(4-chlorobenzoyl)-6-methoxy-2-methyl- (9CI)
  • 3-(4-Chlorobenzoyl)-6-methoxy-2-methylindole-1-acetic acid
  • Clometacin
  • Indole-1-acetic acid, 3-(p-chlorobenzoyl)-6-methoxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 25803-14-9

FDA UNII

  • L9M34YK25C

System Generated Number

  • 0025803149

Structure Descriptors

InChI

1S/C19H16ClNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)

InChIKey

DGMZLCLHHVYDIS-UHFFFAOYSA-N

Smiles

Cc1c(c2ccc(cc2n1CC(=O)O)OC)C(=O)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 187, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 242 deg C   EXP
log P (octanol-water) 3.530 (none)   EST
Atmospheric OH Rate Constant 2.03E-10 cm3/molecule-sec 25 EST

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