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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1999))
IUPAC Name Click here for help
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
Specialist databases
GPCRdb Ligand ketotifen
Other databases
CAS Registry No. 34580-13-7
DrugBank Ligand DB00920
DrugCentral Ligand 1530
GtoPdb PubChem SID 178103781
PubChem CID 3827
Search Google for chemical match using the InChIKey ZCVMWBYGMWKGHF-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZCVMWBYGMWKGHF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZCVMWBYGMWKGHF-UHFFFAOYSA-N
Wikipedia Ketotifen