2305368-53-8

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2305368-53-8 Structure

Identification	Back Directory
[Name] 1H-Pyrrol-2-ol, 3-(4-methylphenyl)-4-[4-(methylsulfonyl)phenyl]-1-propyl-
[CAS] 2305368-53-8
[Synonyms] Imrecoxib Impurity 5 Imrecoxib Impurity C Imericoxib impurities 1H-Pyrrol-2-ol, 3-(4-methylphenyl)-4-[4-(methylsulfonyl)phenyl]-1-propyl-
[Molecular Formula] C21H23NO3S
[MOL File] 2305368-53-8.mol
[Molecular Weight] 369.48

Chemical Properties	Back Directory
[Boiling point ] 547.6±50.0 °C(Predicted)
[density ] 1.18±0.1 g/cm3(Predicted)
[pka] 10.25±0.50(Predicted)
[InChI] InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12,14,23H,4,13H2,1-3H3
[InChIKey] QZCDEIDTIDADDX-UHFFFAOYSA-N
[SMILES] N1(CCC)C=C(C2=CC=C(S(C)(=O)=O)C=C2)C(C2=CC=C(C)C=C2)=C1O

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