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Acemetacin-[d4]

General Information
Catalog: BLP-011760
CAS: 1196151-16-2
Molecular Formula: C21H14D4ClNO6
Molecular Weight: 419.86
Chemical Structure
Acemetacin-[d4]
Description Acemetacin-[d4] is the labelled analogue of Acemetacin, which is a non-steroidal anti-inflammatory agent and used to treat rheumatic disease and other musculoskeletal disorders.
Synonyms Acemetacin D4; 1-(4-Chlorobenzoyl-d4)-5-methoxy-2-methyl-1H-indole-3-acetic Acid Carboxymethyl Ester; TV-1322-d4; Acemix-d4; Emflex-d4; Rantudil-d4; Solart-d4
IUPAC Name 2-[2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid
Related CAS 53164-05-9 (unlabelled)
Canonical SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
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)/i3D,4D,5D,6D
InChI Key FSQKKOOTNAMONP-LNFUJOGGSA-N
Melting Point 150-153°C
Purity >95%
Solubility Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance Pale Yellow Crystalline Solid
Storage Store at -20°C

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