ChemicalBook--->CAS DataBase List--->1391051-99-2

1391051-99-2

1391051-99-2 Structure

1391051-99-2 Structure
IdentificationBack Directory
[Name]

Labetalol IMpurity A
[CAS]

1391051-99-2
[Synonyms]

139051-99-2
Labetalol IMpurity A
Labetalol EP impurity A
LabetalolEPImpurityAHCl
Labetalol Impurity A HCl
Labetalol-1-carboxylic Acid
Labetalol EP Impurity A (Labetalol 1-Carboxylic Acid)
5-[1-Hydroxy-2-[(1-Methyl-3-phenylpropyl)aMino]ethyl]salicylic Acid
Labetalol Hydrochloride Impurity 1 (Labetalol Hydrochloride EP Impurity A)
2-Hydroxy-5-[1-hydroxy-2-[(1-Methyl-3-phenylpropyl)aMino]ethyl]benzoic Acid
Benzoic acid, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-
[Molecular Formula]

C19H23NO4
[MOL File]

1391051-99-2.mol
[Molecular Weight]

329.39
Chemical PropertiesBack Directory
[Melting point ]

>172°C (dec.)
[Boiling point ]

565.9±50.0 °C(Predicted)
[density ]

1.231±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly, Heated)
[form ]

neat
[pka]

3.08±0.10(Predicted)
[color ]

Pale Beige to Light Brown
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C19H23NO4/c1-13(7-8-14-5-3-2-4-6-14)20-12-18(22)15-9-10-17(21)16(11-15)19(23)24/h2-6,9-11,13,18,20-22H,7-8,12H2,1H3,(H,23,24)
[InChIKey]

DZBUYRWVQLOXQQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(C(O)CNC(C)CCC2=CC=CC=C2)=CC=C1O
Hazard InformationBack Directory
[Uses]

Labetalol-1-carboxylic Acid is an impurity of the α-and β-adrenergic, Labetalol (L096500).
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