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CAS No.: | 3614-69-5 |
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Name: | DIMETHINDENE MALEATE |
Molecular Structure: | |
Formula: | C20H24N2•C4H4O4 |
Molecular Weight: | 408.54 |
Synonyms: | Dimethindene maleate;Fenistil;Dimetindene maleate (JAN);Dimethindene maleate (USAN);1H-Indene-2-ethanamine,N,N-dimethyl-3- [1-(2-pyridinyl)ethyl]-,(2Z)-2-butenedioate (1:1);Dimetindene maleate;DIMETHINDEN MALEATE;N,N-DIMETHYL-3-(1-(2-PYRIDINYL)ETHYL)-1H-INDENE-2-ETHANAMINE (Z)-2-BUTENEDIOATE (1:1);FENISTIL-RETARD;DIMETHPYRINDENE MALEATE;FENOSTIL; |
EINECS: | 222-789-2 |
Density: | g/cm3 |
Melting Point: | 159-161℃ |
Boiling Point: | 416.3°Cat760mmHg |
Flash Point: | 205.6°C |
Safety: | Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 90.73000 |
LogP: | 3.85850 |
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Dimethinden maleate(3614-69-5) is a potent antihistamine with a prolonged duration of action. It is used in hypersensitivity reactions, rhinitis, pruritus, and in some common cold remedies, allergies, urticaria, and itching dermatoses.The chemical synonymous of Dimethindene maleate are2-(1-(2-(2-(Dimethylamino)ethyl)inden-3-yl)ethyl)pyridinemaleate; Dimethindenmaleate; Dimethpyrindenemaleate; Fenistil; Fenistil-retard. Dimethinden maleate is an antihistamine/anticholinergic used orally and locally as an antipruritic.
Physical properties about Dimethinden maleate are: (1)ACD/LogP: 4.077; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 5.44; (6)ACD/KOC (pH 5.5): 2.35; (7)ACD/KOC (pH 7.4): 28.98; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Flash Point: 205.6 °C; (11)Enthalpy of Vaporization: 66.95 kJ/mol; (12)Boiling Point: 416.3 °C at 760 mmHg; (13)Vapour Pressure: 3.85E-07 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-;
(2)InChIKey=SWECWXGUJQLXJF-BTJKTKAUSA-N;
(3)SmilesC1(=C(Cc2c1cccc2)CCN(C)C)[C@@H](c1ncccc1)C.C(\C=C/C(=O)O)(=O)O;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 50mg/kg (50mg/kg) | Toxicology and Applied Pharmacology. Vol. 3, Pg. 534, 1961. | |
guinea pig | LD50 | oral | 888mg/kg (888mg/kg) | Toxicology and Applied Pharmacology. Vol. 3, Pg. 534, 1961. | |
rat | LD50 | intravenous | 26800ug/kg (26.8mg/kg) | Toxicology and Applied Pharmacology. Vol. 3, Pg. 534, 1961. | |
rat | LD50 | oral | 618mg/kg (618mg/kg) | Toxicology and Applied Pharmacology. Vol. 3, Pg. 534, 1961. |