Ketotifen

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Systematic / IUPAC Name: 4-(1-Methyl-4-piperidinylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one

ID: Reference2230

Other Names: Ketotifene;
Ketotifenum;
Zaditor;
4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one;
10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)- ; more

Formula: C19H19NOS

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Ketotifen mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/10/2015 9:04:20 AM
View Mass Spec Data > >

Identificators

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
Canonical SMILES CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
CAS 34580148
Splash
Other Names Ketotifene;
Ketotifenum;
Zaditor;
4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one 10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-;
4-(1-Methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one;
4-(1-Methyl-4-piperidylidene)-9-hydrobenzo[a]thiopheno[3,2-d][7]annulen-10-one;
4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one;
4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one

In Other Databases

HMDb HMDB15056
ChEMBL CHEMBL534
Wikipedia Ketotifen
ChemIDPlus 034580137; 034580148
PubChem 3827
KEGG D01332; D08105
ChemSpider 3695
DrugBank DB00920