(Z)-But-2-enedioic acid;7-chloro-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3H-1,4-benzodiazepin-2-one
CAS 1110-46-9 MFCD01110469
化学结构图
SMILES: O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CCCN1CCN(CCO)CC1
化学属性
| Mol. Weight | 691.17 |
|---|---|
| Mol. Formula | C24H28ClFN4O2.2C4H4O4 |
别名和识别编码
| Wiswesser Line Notation | T67 GNV JN IHJ CG KR BF& G3- AT6N DNTJ D2Q &QV1U1VQ-C 2 |
|---|---|
| Chemical Name | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-, maleate (1:2) |
| CAS Number | 1110-46-9 |
| InChIKey | IPIBQYGIUWROLW-SPIKMXEPSA-N |
| PubChem Substance ID | 6433242 |
| InChI | InChI=1S/C24H28ClFN4O2.2C4H4O4/c25-18-6-7-22-20(16-18)24(19-4-1-2-5-21(19)26)27-17-23(32)30(22)9-3-8-28-10-12-29(13-11-28)14-15-31;2*5-3(6)1-2-4(7)8/h1-2,4-7,16,31H,3,8-15,17H2;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 : 165 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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