desloratadine   

GtoPdb Ligand ID: 7157

Synonyms: Clarinex® | SCH-34117
desloratadine is an approved drug (FDA and EMA (2001))
Compound class: Synthetic organic
Comment: Desloratadine is a tricyclic H1-antihistamine. It is the major metabolite of loratadine.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 24.92
Molecular weight 310.12
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1
Isomeric SMILES Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1
InChI InChI=1S/C19H19ClN2/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/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
InChI Key JAUOIFJMECXRGI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2001))
IUPAC Name
8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
International Nonproprietary Names
INN number INN
7817 desloratadine
Synonyms
Clarinex® | SCH-34117
Database Links
CAS Registry No. 100643-71-8
ChEMBL Ligand CHEMBL1172
DrugBank Ligand DB00967
DrugCentral Ligand 814
GtoPdb PubChem SID 178103732
PubChem CID 124087
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Wikipedia Desloratadine

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Desloratadine
Cat. No. 5958