Mrv0541 10101310552D          

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 29 28  1  0  0  0  0
M  END
> <ID>
CHEBI:31162

> <NAME>
acemetacin

> <DEFINITION>
A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin.

> <STAR>
3

> <SYNONYM>
TVX 3322; TV-1322; K-708; K 708; indomethacin glycolic ester; indomethacin carboxymethyl ester; indometacin glycolic ester; indometacin carboxymethyl ester

> <IUPAC_NAME>
{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}acetic acid

> <INN>
acemetacinum; acemetacine; acemetacina; acemetacin

> <BRAND_NAME>
Solart; Rantudil; Emflex; Acemix

> <FORMULA>
C21H18ClNO6

> <MASS>
415.82400

> <MONOISOTOPIC_MASS>
415.08227

> <CHARGE>
0

> <SMILES>
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1

> <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)

> <INCHIKEY>
FSQKKOOTNAMONP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
53164-05-9

> <REAXYS_REGISTRY_NUMBER>
501672

> <CHEMIDPLUS>
53164-05-9

> <KEGG_DRUG_ACCESSION>
D01582

> <LINCS_ACCESSION>
LSM-5753

> <WIKIPEDIA_ACCESSION>
Acemetacin

$$$$