4,9-Dihydro-4-(1-methylpiperidin-4-yliden)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-onfumarat
Ketotifen fumarate
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Grundinformationen
- CAS
34580-14-8- Standard-SMILES
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
YNQQEYBLVYAWNX-WLHGVMLRSA-N- Summenformel
- C23H23NO5S
- Durchschnittliche Molmasse
- 425,506 g/mol
- Monoisotopische Masse
- 425,12969384
Namen und Bezeichner
- Bevorzugter Name
- Ketotifen fumarate
- IUPAC
- (2E)-But-2-enedioic acid--4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one (1/1)
- Lokaler Name
- 4,9-Dihydro-4-(1-methylpiperidin-4-yliden)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-onfumarat
- Englischer Name
- Ketotifen fumarate
- Summenformel
- C23H23NO5S
- Molmasse
- 425.5
Namen und Synonyme
Ketotifene fumarate4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one fumarateketotifen fuMaratzaditenzaditorKETOTIFEN FUMARATE EP10H-Benzo4,5cyclohepta1,2-bthiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2E)-2-butenedioate (1:1)4-(1-Methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one hydrogen (E)-butenedioateZastenTotifen
Datenbank-Bezeichner
- CAS
34580-14-8- PubChem CID
- 5282408
- DTXSID
DTXSID30892970- ChEMBL
CHEMBL1633- UNII
- HBD503WORO
- EC Number
- 252-100-0
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 C · 192 C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Sparingly soluble in water, slightly soluble in methanol, very slightly soluble in acetonitrile.
- Aggregatzustand
- Solid
- Farbe
- White to Pale Beige
- PH
- pH (10g/l, 25℃) : 3.0～4.0
- Wasserlöslichkeit
- Soluble in water (10 mg/ml), DMSO (100 mM), and methanol.
- Merck
- 14 · 14,5307
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- YNQQEYBLVYAWNX-WLHGVMLRSA-N
- SMILES
- C1(=C2/CCN(C)CC/2)\C2=C(C=CC=C2)CC(=O)C2SC=CC\1=2.C(/C(=O)O)=C\C(=O)O
- CAS Datenbank
- 34580 · 34580-14-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29349990
- RTECS-Nr.
- DE8260000
- risk_code
- 22-36/37/38-23/24/25
- Toxizität
- child,TDLo,oral,200ug/kg (0.2mg/kg),Drug Safety. Vol. 7, Pg. 387, 1992.
- hazard_code
- Xn,T
- safety_code
- 36-45-36/37/39-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Chemie und Industrie
Anwendungen
BeschreibungKetotifen 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.
VerwendenKetotifen 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
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