(Z)-But-2-enedioic acid;7-chloro-1-[3-[4-(2-ethenoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
CAS 1064-66-0 MFCD01064660
化学结构图
SMILES: C=COCCN1CCN(CCCN2C(=O)CN=C(c3ccccc3F)c3cc(Cl)ccc32)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O
化学属性
| Mol. Weight | 717.21 |
|---|---|
| Mol. Formula | C26H30ClFN4O2.2C4H4O4 |
别名和识别编码
| Wiswesser Line Notation | T67 GNV JN IHJ CG KR BF& G3- AT6N DNTJ D2O1U1&QV1U1VQ -C 2 |
|---|---|
| Chemical Name | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(4-(2-(vinyloxy)ethyl)-1-piperazinyl)propyl)-, maleate (1:2) |
| CAS Number | 1064-66-0 |
| InChIKey | KCVYQIOGLCKJSG-SPIKMXEPSA-N |
| PubChem Substance ID | 6433236 |
| InChI | InChI=1S/C26H30ClFN4O2.2C4H4O4/c1-2-34-17-16-31-14-12-30(13-15-31)10-5-11-32-24-9-8-20(27)18-22(24)26(29-19-25(32)33)21-6-3-4-7-23(21)28;2*5-3(6)1-2-4(7)8/h2-4,6-9,18H,1,5,10-17,19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
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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 : 284 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
