3-[7-Chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethylazanium;dichloride
CAS 4084-16-6 MFCD04084166
化学结构图
SMILES: C[NH+](C)CCCN1C(=O)C[NH2+]C(c2ccccc2F)c2cc(Cl)ccc21.[Cl-].[Cl-]
化学属性
| Mol. Weight | 448.83 |
|---|---|
| Mol. Formula | C20H23ClFN3O.2ClH |
别名和识别编码
| Wiswesser Line Notation | T67 GNV JM&TJ CG G3N1&1 KR BF &GH 2 |
|---|---|
| Chemical Name | 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-1-(3-(dimethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride |
| CAS Number | 4084-16-6 |
| InChIKey | VQCCXQMATDFPMG-UHFFFAOYSA-N |
| PubChem Substance ID | 20020 |
| InChI | InChI=1S/C20H23ClFN3O.2ClH/c1-24(2)10-5-11-25-18-9-8-14(21)12-16(18)20(23-13-19(25)26)15-6-3-4-7-17(15)22;;/h3-4,6-9,12,20,23H,5,10-11,13H2,1-2H3;2*1H |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 325 mg/kg TOXIC EFFECTS : Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity) REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,815,1965
