5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-
CAS 6454-66-6 MFCD06454666
化学结构图
SMILES: O=C(O)c1cncnc1Nc1cccc(C(F)(F)F)c1
化学属性
| Mol. Formula | C12H8F3N3O2 |
|---|---|
| Mol. Weight | 283.23 |
别名和识别编码
| Chemical Name | 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- |
|---|---|
| Synonym | 4-(alpha,alpha,alpha-Trifluoro-m-toluidino)-5-pyrimidinecarboxylic acid 4-(3-Trifluoromethylanilino)pyrimidine-5-carboxylic acid |
| CAS Number | 6454-66-6 |
| Beilstein Registry Number | 0553152 |
| InChIKey | SPUINZMFNWDZEA-UHFFFAOYSA-N |
| PubChem Substance ID | 201641 |
| InChI | InChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(4-7)18-10-9(11(19)20)5-16-6-17-10/h1-6H,(H,19,20)(H,16,17,18) |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1782 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: 10,954,1967
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