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[2-[(3R,4S)-4-乙基-1-[(苯基甲氧基)羰基]-3-吡咯烷基]-2-氧代乙基]二甲基-亚砜内盐 基本信息
| 中文名称 | [2-[(3R,4S)-4-乙基-1-[(苯基甲氧基)羰基]-3-吡咯烷基]-2-氧代乙基]二甲基-亚砜内盐 |
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| 中文同义词 | [2-[(3R,4S)-4-乙基-1-[(苯基甲氧基)羰基]-3-吡咯烷基]-2-氧代乙基]二甲基-亚砜内盐;磺鎓,[2-[(3R,4S)-4-乙基-1-[(苯基甲氧基)羰基]-3-吡咯烷基]-2-氧代乙基]二甲基-,内盐 |
| 英文名称 | [2-[(3R,4S)-4-ethyl-1-[(phenylmethoxy)carbonyl]-3-pyrrolidinyl]-2-oxoethyl]dimethyl-Sulfoxonium inner salt |
| 英文同义词 | [2-?[(3R,?4S)?-?4-?ethyl-?1-?[(phenylmethoxy)?carbonyl]?-?3-?pyrrolidinyl]?-?2-?oxoethyl]?dimethyl-?Sulfoxonium inner salt;[2-[(3R,4S)-4-ethyl-1-[(phenylmethoxy)carbonyl]-3-pyrrolidinyl]-2-oxoethyl]dimethyl-Sulfoxonium inne;Upadacitinib Impurity 50;benzyl (3R,4S)-3-(2-(dimethyl(oxo)-l6-sulfaneylidene)acetyl)- 4-ethylpyrrolidine-1-carboxylate;Sulfoxonium, [2-[(3R,4S)-4-ethyl-1-[(phenylmethoxy)carbonyl]-3-pyrrolidinyl]-2-oxoethyl]dimethyl-, inner salt |
| CAS号 | 2050038-78-1 |
| 分子式 | C18H25NO4S |
| 分子量 | 351.46 |
| EINECS号 | |
| 相关类别 | 乌帕替尼中间体 |
| Mol文件 | 2050038-78-1.mol |
| 结构式 | ![[2-[(3R,4S)-4-乙基-1-[(苯基甲氧基)羰基]-3-吡咯烷基]-2-氧代乙基]二甲基-亚砜内盐 结构式](https://yunshiji.oss-cn-shenzhen.aliyuncs.com/202410/29/1021275118800000199.gif) |
[2-[(3R,4S)-4-乙基-1-[(苯基甲氧基)羰基]-3-吡咯烷基]-2-氧代乙基]二甲基-亚砜内盐 性质
| InChI | InChI=1/C18H25NO4S/c1-4-15-10-19(11-16(15)17(20)13-24(2,3)22)18(21)23-12-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3/t15-,16+/s3 |
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| InChIKey | JBSDYKUHAKGYCH-FKQNFQRWNA-N |
| SMILES | C([C@H]1CN(C(=O)OCC2C=CC=CC=2)C[C@H]1CC)(=O)[CH-][S+](=O)(C)C |&1:1,15,r| |
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