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Ketotifen-[d3] fumarate

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General Information
Catalog: BLP-013822
CAS: 1795138-23-6
Molecular Formula: C23H20D3NO5S
Molecular Weight: 428.52

Chemical Structure

Description	Ketotifen-[d3] fumarate is the labelled salt of Ketotifen, which is a second-generation noncompetitive H1-antihistamine and mast cell stabilizer. Ketotifen is used as an antiasthmatic and antiallergic agent.
Synonyms	Ketotifen-d3 fumarate; 4,9-Dihydro-4-[1-(methyl-d3)-4-piperidinylidene]-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one (2E)-2-Butenedioate; Ketotifen-d3 Hydrogen Fumarate; Totifen-d3; Zaditen-d3; Zaditor-d3; Zasten-d3
IUPAC Name	(E)-but-2-enedioic acid;2-[1-(trideuteriomethyl)piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Related CAS	34580-14-8 (unlabelled) 34580-13-7 (unlabelled free base)
Canonical SMILES	CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C19H19NOS.C4H4O4/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;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i1D3;
InChI Key	YNQQEYBLVYAWNX-PCUGBSCUSA-N
Solubility	Soluble in DMSO (Sparingly), Methanol (Slightly)
Appearance	Pale Beige Solid
Storage	Store at 2-8°C