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Acemetacin

CAS Registry Number®

53164-05-9

CAS Name

Acemetacin

Molecular Formula

C21H18ClNO6

Molecular Mass

415.82

Cite this Page

Acemetacin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53164-05-9 (retrieved 2024-11-23) (CAS RN: 53164-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151.5 °C

  • Density (2)

    1.428 g/cm³

Source(s)

Other Names and Identifiers

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

InChIKey=FSQKKOOTNAMONP-UHFFFAOYSA-N

SMILES

C(=O)(N1C=2C(C(CC(OCC(O)=O)=O)=C1C)=CC(OC)=CC2)C3=CC=C(Cl)C=C3

Canonical SMILES

O=C(O)COC(=O)CC=1C=2C=C(OC)C=CC2N(C(=O)C3=CC=C(Cl)C=C3)C1C

Other Names for this Substance

  • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, carboxymethyl ester
  • Acemetacin
  • TVX 1322
  • Rantudil
  • K 708

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Deleted or Replaced CAS Registry Numbers

136298-38-9

CAS INSIGHTSTM
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