Ketotifen
Properties
- Molecular formula
- C19H19NOS
- Molar mass
- 309.43 g/mol
- Exact mass
- 309.1187 Da
- Melting point
- 152–153 °C
- Water solubility
- 15.3 mg/L (25 °C)
- logP
- 4.01Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
34580-13-7SMILES
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1InChIKey
ZCVMWBYGMWKGHF-UHFFFAOYSA-NInChI
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,6-7,9-10,12H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-
- 4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
- 4-(1-Methyl-4-piperidinylidene)-4H-benzo[4,5]cyclohepta[1,2-d]thiophene-10(9H)-one
- HC 20-511
- (±)-Ketotifen
- RS-ketotifen
Work with Ketotifen
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Pizotifen15574-96-661 % similar
Pizotifen malate5189-11-749 % similar
Cyproheptadine129-03-346 % similar
Cyproheptadine hydrochloride969-33-543 % similar
Azatadine maleate3978-86-742 % similar
Cyproheptadine hydrochloride sesquihydrate41354-29-441 % similar
11-(1-Methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[D]imidazo[1,2-A]azepine147083-36-141 % similar
Alcaftadine147084-10-439 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds