desloratadine   Click here for help

GtoPdb Ligand ID: 7157

Synonyms: Clarinex® | SCH-34117
Approved drug PDB Ligand Immunopharmacology Ligand
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
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2001))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7817 desloratadine
Synonyms Click here for help
Clarinex® | SCH-34117
Database Links Click here for help
Specialist databases
GPCRdb Ligand desloratadine
Other databases
CAS Registry No. 100643-71-8
ChEMBL Ligand CHEMBL1172
DrugBank Ligand DB00967
DrugCentral Ligand 814
GtoPdb PubChem SID 178103732
PubChem CID 124087
Search Google for chemical match using the InChIKey JAUOIFJMECXRGI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JAUOIFJMECXRGI
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UniChem Compound Search for chemical match using the InChIKey JAUOIFJMECXRGI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JAUOIFJMECXRGI-UHFFFAOYSA-N
Wikipedia Desloratadine

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Desloratadine (links to external site)
Cat. No. 5958