2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-(o-fluorophenyl)-1-(3-(methylamino)propyl)-, dihydrochloride, hydrate
CAS 4191-05-3 MFCD N/A
化学结构图
SMILES: C[NH2+]CCCN1C(=O)C[NH2+]C(c2ccccc2F)c2cc(Cl)ccc21.[Cl-].[Cl-]
化学属性
| Mol. Weight | 451.81 |
|---|---|
| Mol. Formula | C19H21ClFN3O.2ClH.H2O |
别名和识别编码
| Wiswesser Line Notation | T67 GNV JM&TJ CG G3M1 KR BF &GH 2 &QH |
|---|---|
| Chemical Name | 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-(o-fluorophenyl)-1-(3-(methylamino)propyl)-, dihydrochloride, hydrate |
| CAS Number | 4191-05-3 |
| InChIKey | ANSDFYDJRIUSGG-UHFFFAOYSA-N |
| PubChem Substance ID | 20159 |
| InChI | InChI=1S/C19H21ClFN3O.2ClH/c1-22-9-4-10-24-17-8-7-13(20)11-15(17)19(23-12-18(24)25)14-5-2-3-6-16(14)21;;/h2-3,5-8,11,19,22-23H,4,9-10,12H2,1H3;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 : 300 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
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