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ChemicalBook--->CAS DataBase List--->94198-40-0

94198-40-0

94198-40-0 Structure

94198-40-0 Structure
IdentificationBack Directory
[Name]

2(1H)-Quinolinone, 8-hydroxy-5-[(1R,2R)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-, rel-
[CAS]

94198-40-0
[Synonyms]

Indacaterol Impurity 31
Indacaterol Impurity 23(and enantiomer)
8-hydroxy-5-((1RS,2RS)-1-hydroxy-2-(isopropylamino)butyl)quinolin-2(1H)-one
8-Hydroxy-5-{(1RS,2RS)-1-hydroxy- 2-[(1-methylethyl)amino]butyl]}quinolin-2(1H)-one
2(1H)-Quinolinone, 8-hydroxy-5-[(1R,2R)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-, rel-
[Molecular Formula]

C16H22N2O3
[MOL File]

94198-40-0.mol
[Molecular Weight]

290.36
Chemical PropertiesBack Directory
[Boiling point ]

539.5±50.0 °C(Predicted)
[density ]

1.191±0.06 g/cm3(Predicted)
[pka]

8.73±0.20(Predicted)
[InChI]

InChI=1/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16-/s3
[InChIKey]

FKNXQNWAXFXVNW-DLNQUAHENA-N
[SMILES]

N1C2=C(C([C@@H](O)[C@H](NC(C)C)CC)=CC=C2O)C=CC1=O |&1:4,6,r|
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