4-Fluoro-alpha-(3-(methylphenethylamino)propyl)benzhydrol oxalate
CAS 4236-45-7 MFCD04236457
化学结构图
SMILES: CN(CCCC(O)(c1ccccc1)c1ccc(F)cc1)CCc1ccccc1.O=C(O)C(=O)O
化学属性
| Mol. Weight | 467.58 |
|---|---|
| Mol. Formula | C25H28FNO.C2H2O4 |
别名和识别编码
| Wiswesser Line Notation | FR DXQR&3N1&2R &QVVQ |
|---|---|
| Chemical Name | Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate |
| Synonym | 4-Fluoro-alpha-(3-(methylphenethylamino)propyl)benzhydrol oxalate 1-Butanol, 1-p-fluorophenyl-3-methylphenethylamino-1-phenyl-, oxalate |
| CAS Number | 4236-45-7 |
| InChIKey | SXHUOQPWUIMESD-UHFFFAOYSA-N |
| PubChem Substance ID | 199474 |
| InChI | InChI=1S/C25H28FNO.C2H2O4/c1-27(20-17-21-9-4-2-5-10-21)19-8-18-25(28,22-11-6-3-7-12-22)23-13-15-24(26)16-14-23;3-1(4)2(5)6/h2-7,9-16,28H,8,17-20H2,1H3;(H,3,4)(H,5,6) |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 375 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value 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: 8,836,1965
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