| CAS NO: | 1189870-26-5 |
| 包装: | 0.5mg |
| 市场价: | 2992.50元 |
| 英文别名 | 1189870-26-5;Tianeptine-d12 |
| CAS号 | 1189870-26-5 |
| SMILES | CN1C2=CC=CC=C2C(C3=C(C=C(C=C3)Cl)S1(=O)=O)NC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C |
| Inchi | InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/i2D2,3D2,4D2,7D2,10D2,13D2 |
| InchiKey | JICJBGPOMZQUBB-WUQUEXLQSA-N |
| 分子式 Formula | C21H13D12ClN2O4S |
| 分子量 Molecular Weight | 449.026 |
| 闪点 FP | 322.2±34.3 ℃ |
| 熔点 Melting point | 132-136?C |
| 沸点 Boiling point | 609.2±65.0 ℃ at 760 mmHg |
| Polarizability极化度 | 45.2±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.8 mmHg at 25℃ |
| 溶解度Solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| 储藏条件 Storage conditions | Refrigerator, Under Inert Atmosphere |
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