loratadine   Click here for help

GtoPdb Ligand ID: 7216

Synonyms: Claritin® | SCH-29851
Approved drug Immunopharmacology Ligand
loratadine is an approved drug (FDA (1993))
Compound class: Synthetic organic
Comment: Loratidine is an antihistamine; peripheral H1 receptor antagonist; antiallergic agent.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 42.43
Molecular weight 382.14
XLogP 3.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
Isomeric SMILES CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChI Key JCCNYMKQOSZNPW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1993))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
International Nonproprietary Names Click here for help
INN number INN
5864 loratadine
Synonyms Click here for help
Claritin® | SCH-29851
Database Links Click here for help
CAS Registry No. 79794-75-5
ChEMBL Ligand CHEMBL998
DrugBank Ligand DB00455
DrugCentral Ligand 1605
GtoPdb PubChem SID 178103791
PubChem CID 3957
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Wikipedia Loratidine

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Tocris
Loratidine
Cat. No. 1944