Ketotifen fumarate

Base Information

• Chemical Name: Ketotifen fumarate
• CAS No.: 34580-14-8
• Deprecated CAS: 126939-14-8
• Molecular Formula: C23H23NO5S
• Molecular Weight: 425.505
• Hs Code.: 29349990
• European Community (EC) Number: 252-100-0
• NSC Number: 757415
• UNII: HBD503WORO
• DSSTox Substance ID: DTXSID30892970
• Wikidata: Q27279844
• NCI Thesaurus Code: C47579
• RXCUI: 11404
• Pharos Ligand ID: GLYZCTF8JCY3
• ChEMBL ID: CHEMBL1633
• Mol file: 34580-14-8.mol

Synonyms:4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)-cyclohepta(1,2-b)thiophen-10-one;Fumarate, Ketotifen;Ketotifen;Ketotifen Fumarate;Ketotifene;Ketotiphen;Ketotiphene;Zaditen

Chemical Property of Ketotifen fumarate

Chemical Property:

• Appearance/Colour: White to brownish-yellow, fine, crystalline powder
• Vapor Pressure: 1.05E-09mmHg at 25°C
• Melting Point: -43°C
• Boiling Point: 488.9 °C at 760 mmHg
• Flash Point: 249.5 °C
• PSA: 123.15000
• Density: 0.968g/mLat 25°C(lit.)
• LogP: 3.66410
• Storage Temp.: Store at RT
• Solubility.: Sparingly soluble in water, slightly soluble in methanol, very slightly soluble in acetonitrile.
• Water Solubility.: Soluble in water (10 mg/ml), DMSO (100 mM), and methanol.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 425.12969401
• Heavy Atom Count: 30
• Complexity: 595

Purity/Quality:

99%+, ^*data from raw suppliers

Ketotifen fumarate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T
• Hazard Codes: Xn,T
• Statements: 22-36/37/38-23/24/25
• Safety Statements: 36-45-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O
• Recent ClinicalTrials: PrEvention of Posttraumatic Joint contractuRes With Ketotifen 2
• Recent EU Clinical Trials: Phase II trial for the use of ketotifen to enhance therapy in patients with sarcoma receiving standard chemotherapy
• Recent NIPH Clinical Trials: A double-blind cross-over study comparing the effects of single doses of fexofenadine, olopatadine, ketotifen fumarate and placebo on sedation in healthy Japanese subjects
• Indications: Dermatology applies it to the treatment of allergic diseases such as urticaria, pruritus, eczema, atopic dermatitis, and neurodermatitis; it is recently reported that it is also effective in the treatment of scleroderma. For medicine, it has a good efficacy in treating asthma, especially with a significant effect on treating allergic asthma, followed by mixed asthma, and being effective in half of cases for infecting type. It can also be used for the prevention of asthma.
• Description: Ketotifen is a histamine H1 receptor antagonist (Ki = 1.3 nM) and mast cell stabilizer. It is selective for H1 receptors over H2 and H3 receptors (Kis = 987 and 2,500 nM, respectively). Ketotifen (50 and 100 μM) inhibits degranulation of rat peritoneal mast cells induced by compound 48/80 . It inhibits the passive cutaneous anaphylaxis (PCA) reaction in rats by 54.6% when administered orally at a dose of 20 mg/kg. Ketotifen (30 mg/kg) inhibits the quick phase airway response in a rat ovalbumin-induced immediate airway response model. Formulations containing ketotifen have been used in the treatment of itching associated with allergic conjunctivitis.
• Uses: vasodilator Ketotifen fumarate salt has been used: for mast cell product antagonism, as a positive control in β-hexosaminidase release assay, as mast cell stabilizer to treat pregnant dams added to ad libitum drinking water Antiasthmatic; antiallergic. Ketotifen, C19H19NOS, is also a piperidine derivative; like oxatomide, it has mast cell stabilizing actions besides its antihistamine properties.

Technology Process of Ketotifen fumarate

There total 1 articles about Ketotifen fumarate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ ketotifen fumarate (34580-14-8)

Guidance literature:

Reference yield:

ketotifen fumarate (34580-14-8) + 7,7',8,8'-tetracyanoquinodimethane (1518-16-7,6144-37-2) → C19H19NOS*C4H4O4*C12H4N4

Guidance literature:

In acetonitrile; at 70 ℃; for 0.333333h;

DOI:10.3390/molecules26072039

Reference yield:

ketotifen fumarate (34580-14-8) + 2,3-dicyano-5,6-dichloro-p-benzoquinone (84-58-2) → C19H19NOS*C4H4O4*C8Cl2N2O2

Guidance literature:

In acetonitrile;

DOI:10.3390/molecules26072039