ketotifen   Click here for help

GtoPdb Ligand ID: 7206

Synonyms: HC-20511 | Zaditor®
Approved drug
ketotifen is an approved drug (FDA (1999))
Compound class: Synthetic organic
Comment: Ketotifen is an antihistamine. This drug may be used in eye drop or oral formulations, where the active ingredient is ketotifen fumarate (PubChem CID 5282408).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 48.55
Molecular weight 309.12
XLogP 2.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1
Isomeric SMILES CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1
InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
InChI Key ZCVMWBYGMWKGHF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1999))
IUPAC Name Click here for help
10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one
International Nonproprietary Names Click here for help
INN number INN
3993 ketotifen
Synonyms Click here for help
HC-20511 | Zaditor®
Database Links Click here for help
CAS Registry No. 34580-13-7
ChEMBL Ligand CHEMBL534
DrugBank Ligand DB00920
DrugCentral Ligand 1530
GtoPdb PubChem SID 178103781
PubChem CID 3827
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Wikipedia Ketotifen