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Indobufen Structure

Indobufen

Chemical Properties

Melting point 182-184°
Boiling point 518.1±50.0 °C(Predicted)
Density  1.275±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.39±0.10(Predicted)
color  White
InChI InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)
InChIKey AYDXAULLCROVIT-UHFFFAOYSA-N
SMILES O=C1C2C=CC=CC=2CN1C1C=CC(C(CC)C(=O)O)=CC=1
CAS DataBase Reference 63610-08-2(CAS DataBase Reference)
FDA UNII 6T9949G4LZ
ATC code B01AC10
EPA Substance Registry System Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-.alpha.-ethyl- (63610-08-2)

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