ChemicalBook--->CAS DataBase List--->117796-52-8

117796-52-8

117796-52-8 Structure

117796-52-8 Structure
IdentificationBack Directory
[Name]

Sch 37370
[CAS]

117796-52-8
[Synonyms]

Sch 37370
N-AcylImpurity
Sch 37370 USP/EP/BP
N-Acetyldesloratadine
N-Acetyldesloratadine N
N-acetyl base loratadine
Desloratadine impurity III (Desloratadine n-acetyl impurity)"
1-(4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidin-1-yl)ethanone
1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone
1-Acetyl-4-[(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]piperidine
1-[4-[(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine)-11-ylidene]piperidino]ethanone
Ethanone, 1-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]-
1-(4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl)ethan-1-one
[Molecular Formula]

C21H21ClN2O
[MDL Number]

MFCD00873685
[MOL File]

117796-52-8.mol
[Molecular Weight]

352.86
Chemical PropertiesBack Directory
[Melting point ]

155-157 °C
[Boiling point ]

546.9±50.0 °C(Predicted)
[density ]

1.257±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

4.16±0.20(Predicted)
[color ]

Off-White to Pale Pink
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
[InChIKey]

FLTBEMVEAFMWDD-UHFFFAOYSA-N
[SMILES]

C(=O)(N1CC/C(=C2\C3=NC=CC=C3CCC3=CC(Cl)=CC=C3\2)/CC1)C
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H315-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1
Hazard InformationBack Directory
[Uses]

N-Acetyldesloratadine is an impurity in the synthesis of Desloratadine (D290250), Nonsedating-type histamine H1-receptor antagonist.
Spectrum DetailBack Directory
[Spectrum Detail]

Sch 37370(117796-52-8)1HNMR
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