| 中文别名 | BTZ043 Racemate(cas:957217-65-1),BTZ043消旋体,BTZ-043,BTZ038，BTZ044,BTZ043外消旋体,G55ZH52P57,2-(2-甲基-1,4-二氧杂-8-氮杂螺[4.5]癸烷-8-基)-8-硝基-6-(三氟甲基)-4H-苯并[E][1,3]噻嗪-4-酮, |
| 英文别名 | BTZ043 Racemate;BTZ10526038; Benzothiazinone;10526038;BTZ043(BTZ038,BTZ044);4H-1,3-Benzothiazin-4-one,2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-8-nitro-6-(trifluoromethyl)-;2-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-Chemicalbook6-(trifluoromethyl)-1,3-benzothiazin-4-one;2-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-oneBTZ043Racemate;Benzothiazinone10526038; |
| CAS号 | 957217-65-1 |
| SMILES | O=C1N=C(N(CC2)CCC32OCC(C)O3)SC4=C([N+]([O-])=O)C=C(C(F)(F)F)C=C14 |
| Inchi | InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3 |
| InchiKey | GTUIRORNXIOHQR-UHFFFAOYSA-N |
| 分子式 Formula | C17H16F3N3O5S |
| 分子量 Molecular Weight | 431.39 |
| 闪点 FP | 285.0±32.9 ℃ |
| 沸点 Boiling point | 547.6±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 37.8±0.5 10-24cm3 |
| 密度 Density | 1.7±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.5 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 30 mg/mL(69.54 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | 固体粉末,Power |
| 储藏条件 Storage conditions | -20℃ 3 years年 4℃ 2 years年 / In solvent溶液中:-80℃ 6 months月 -20℃ 1 month月 |
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