Acemetacin

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Properties Simple | Detailed

Formula C21H18ClNO6
IUPAC Name 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-2-ylium-3-yl]acetyl]oxyacetic acid
Molecular Mass 415.824 g·mol−1
Heat of Formation -856.2 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 468.83 Å 3
Surface Area 397.46 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • ((1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl)acetoxy)acetic acid
  • 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
  • 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid ester with glycolic acid
  • 1h-indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, carboxymethyl
  • 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-methyl-indol-3-yl]acetyl]oxyacetic acid
  • 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid
  • 2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyloxy]ethanoic acid
  • 2-[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethoxy]acetic acid
  • [({1-[(4-chlorophenyl)carbonyl]-2-methyl-5-(methyloxy)-1h-indol-3-yl}acetyl)oxy]acetic acid
  • acemetacin (jan)
  • acemetacin [ban:inn:jan]
  • acemetacinum
  • acemix
  • aximeixin
  • bay f 4975
  • bay-f-4975
  • bpbio1_000256
  • d01582
  • emflex
  • k 708
  • k-708
  • rantudil
  • rheumibis
  • tvx 3322
  • tvx-1322
CAS Number(s)
  • 53164-05-9
InChIKey FSQKKOOTNAMONP-UHFFFAOYSA-N
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Elements H C N O Cl