loratadine   

GtoPdb Ligand ID: 7216

Synonyms: Claritin® | SCH-29851
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
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
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
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
ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
International Nonproprietary Names
INN number INN
5864 loratadine
Synonyms
Claritin® | SCH-29851
Database Links
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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Search UniChem for chemical match using the InChIKey JCCNYMKQOSZNPW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JCCNYMKQOSZNPW
Wikipedia Loratidine

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Tocris
Loratidine
Cat. No. 1944