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Substance Name: Indomethacin salicylate
RN: 65474-39-7
InChIKey: ZMVHVVYABPAONG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H20-Cl-N-O6

Molecular Weight

  • 477.898
 
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Names and Synonyms

Results Name

  • Indomethacin salicylate

Name of Substance

  • 2-Carboxyphenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate

Synonyms

  • (2-Carboxyphenyl) 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
  • 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid ester with salicylic acid
  • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-carboxyphenyl ester
  • BRN 0464919
  • Indomethacin salicylate
  • TB 219

Systematic Name

  • Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, ester with salicylic acid

Registry Numbers

CAS Registry Number

  • 65474-39-7

System Generated Number

  • 0065474397

Structure Descriptors

InChI

1S/C26H20ClNO6/c1-15-20(14-24(29)34-23-6-4-3-5-19(23)26(31)32)21-13-18(33-2)11-12-22(21)28(15)25(30)16-7-9-17(27)10-8-16/h3-13H,14H2,1-2H3,(H,31,32)

InChIKey

ZMVHVVYABPAONG-UHFFFAOYSA-N

Smiles

c12c(c(CC(Oc3c(cccc3)C(O)=O)=O)c(n1C(c1ccc(Cl)cc1)=O)C)cc(OC)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 27500ug/kg (27.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 703, 1986.
rat LD50 oral 59500ug/kg (59.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 703, 1986.