Acemetacin

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Systematic / IUPAC Name: {2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}acetic acid

ID: Reference3063

Other Names: Acemetacine;
Acemetacinum;
Acemix;
Aximeixin;
Emflex ; more

Formula: C21H18ClNO6

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Acemetacin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 98
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/29/2015 12:56:07 PM
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Identificators

InChI InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
InChI Key FSQKKOOTNAMONP-UHFFFAOYSA-N
Canonical SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
CAS 53164059
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Other Names Acemetacine;
Acemetacinum;
Acemix;
Aximeixin;
Emflex;
Indomethacin glycolic ester;
Rantudil;
Rheumibis;
Solart;
{[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetoxy}acetic acid ;
[({1-[(4-Chlorophenyl)carbonyl]-2-methyl-5-(methyloxy)-1H-indol-3-yl}acetyl)oxy]acetic acid;
[({1-[(4-Chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetyl)oxy]acetic acid;
[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetic acid carboxymethyl ester;
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid carboxymethyl ester;
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid carboxymethyl ester;
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid carboxymethyl ester ;
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl, carboxymethyl ester;
2-{2-[1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetoxy}acetic acid ;
2-{2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl}oxyacetic acid ;
Indometacin carboxymethyl ester;
Indomethacin carboxymethyl ester

In Other Databases

KEGG D01582
Wikipedia Acemetacin
ChemIDPlus 053164059
ChEBI CHEBI:31162
PubChem 1981
ChemSpider 1904