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117811-20-8

117811-20-8 Structure

117811-20-8 Structure
IdentificationBack Directory
[Name]

8-Chloro-11-(piperidin-4-ylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
[CAS]

117811-20-8
[Synonyms]

Dehydro Desloratadine
Desloratadine IMpurity C
Desloratadine Impurity 9
Desloratadine dehydrogenation
Desloratadine Dehydro Impurity
8-chloro-11-(piperidin-4-ylidene)
8-Chloro-11-(4-piperidinylidene)-benzo[5,6]cyclohepta[1,2-b]pyridine
8-CHLORO-11-(4-PIPERIDYLIDENE)-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE
8-Chloro-11-(piperidin-4-ylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
11H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-11-(4-piperidinylidene)-
[Molecular Formula]

C19H17ClN2
[MDL Number]

MFCD32663202
[MOL File]

117811-20-8.mol
[Molecular Weight]

308.8
Chemical PropertiesBack Directory
[Melting point ]

>163°C (dec.)
[Boiling point ]

477.0±45.0 °C(Predicted)
[density ]

1.246±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.21±0.20(Predicted)
[color ]

Pale Brown
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C19H17ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-6,9,12,21H,7-8,10-11H2
[InChIKey]

DSDQPELJDBELOW-UHFFFAOYSA-N
[SMILES]

C12/C(=C3\CCNCC\3)/C3=CC=C(Cl)C=C3C=CC1=CC=CN=2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

8-Chloro-11-(piperidin-4-ylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridineb is an impurity of Desloratadine (D290250). It was used to validate a stability-indicating ultra-performance liquid chromatography (UPLC) method for Desloratadine and its impurities in pharmaceutical dosage forms.
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