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199657-47-1

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199657-47-1 Structure

199657-47-1 Structure
IdentificationBack Directory
[Name]

199657-47-1
[CAS]

199657-47-1
[Synonyms]

Givinostat Impurity 3
GivinostatImpurity3-d10
4-((((6-((diethylamino)methyl)naphthalen-2-yl)methoxy)carbonyl)amino)benzoic acid
Benzoic acid, 4-[[[[6-[(diethylamino)methyl]-2-naphthalenyl]methoxy]carbonyl]amino]-
[Molecular Formula]

C24H26N2O4
[MOL File]

199657-47-1.mol
[Molecular Weight]

406.47
Chemical PropertiesBack Directory
[Boiling point ]

557.6±45.0 °C(Predicted)
[density ]

1.247±0.06 g/cm3(Predicted)
[pka]

4.31±0.10(Predicted)
[InChI]

InChI=1S/C24H26N2O4/c1-3-26(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-30-24(29)25-22-11-9-19(10-12-22)23(27)28/h5-14H,3-4,15-16H2,1-2H3,(H,25,29)(H,27,28)
[InChIKey]

NCHVNKHIEHGHEU-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(NC(OCC2=CC=C3C(=C2)C=CC(CN(CC)CC)=C3)=O)C=C1
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