
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1391194-50-5 |
| Catalog No. | 2A-3184881 |
| Chinese Name | 普拉格雷杂质III |
| Synonyms | 5-[2-Cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate |
| Molecular Formula | C20H20FNO3S |
| Molecular Weight | 373.441 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 497.6±45.0 °C at 760 mmHg |
| SMILES | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccc(F)cc1)C2 |
| InChI | InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-15-11-22(9-8-17(15)26-18)19(20(24)14-2-3-14)13-4-6-16(21)7-5-13/h4-7,10,14,19H,2-3,8-9,11H2,1H3 |
| InChI Key | XKXRRKWLOOSELF-UHFFFAOYSA-N |
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