烏帕替尼雜質(zhì)2 基本信息
| 中文名稱 | 烏帕替尼雜質(zhì)2 |
|---|---|
| 中文同義詞 | (3S,4R)-3-(2-氯乙?；?-4-乙基吡咯烷-1-甲酸芐酯;REL-苯基甲基(3R,4S)-3-(2-溴乙?；?-4-乙基-1-吡咯烷羧酸酯;烏帕替尼雜質(zhì)34 |
| 英文名稱 | 1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3R,4S)-rel- |
| 英文同義詞 | 1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3R,4S)-rel-;benzyl (3S,4R)-3-(2-chloroacetyl)-4-ethylpyrrolidine-2-carboxylate;rel-Phenylmethyl (3R,4S)-3-(2-bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylate;Upadacitinib Impurity 34 |
| CAS號(hào) | 2304514-69-8 |
| 分子式 | C16H20BrNO3 |
| 分子量 | 354.24 |
| EINECS號(hào) | |
| 相關(guān)類別 | |
| Mol文件 | 2304514-69-8.mol |
| 結(jié)構(gòu)式 |  |
烏帕替尼雜質(zhì)2 性質(zhì)
| 沸點(diǎn) | 453.1±45.0 °C(Predicted) |
|---|---|
| 密度 | 1.361±0.06 g/cm3(Predicted) |
| 儲(chǔ)存條件 | Storage temp. 2-8°C |
| 酸度系數(shù)(pKa) | -2.91±0.60(Predicted) |
| 外觀 | 淺黃色至黃色液體 |
| InChI | InChI=1/C16H20BrNO3/c1-2-13-9-18(10-14(13)15(19)8-17)16(20)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/s3 |
| InChIKey | QEFUCTKHMXMWRF-JJANDPSINA-N |
| SMILES | N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(CBr)=O)C1 |&1:12,15,r| |