托法替尼（CAS 477600-75-2）：分子式 C16H20N6O、分子量 312.37。
| CAS号 | 477600-75-2 |
|---|---|
| 分子式 | C16H20N6O |
| 分子量 | 312.37 |
| LogP | 1.808 |
| 应用领域 | Uses: MEDICATION、Protein Kinase Inhibitors、Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al.、World Intellectual Property Organization patent 0142246、eidem、United States of America patent 7265221 (2001、2007 both to Pfizer).、Formulations、Preparations: Oral: Tablets、film-coated、5 mg (of tofacitinib)、Xeljanz (Pfizer). |
登记用途：Uses: MEDICATION、Protein Kinase Inhibitors、Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al.、World Intellectual Property Organization patent 0142246、eidem、United States of America patent 7265221 (2001、2007 both to Pfizer).、Formulations、Preparations: Oral: Tablets、film-coated、5 mg (of tofacitinib)、Xeljanz (Pfizer).。
托法替尼 是一种化工化合物，登记 CAS 号为 477600-75-2，分子式 C16H20N6O（分子量 312.37）。
登记 CAS 号：477600-75-2
其分子式 C16H20N6O 由 16 个碳、20 个氢、6 个氮、1 个氧 组成。
别名/同义词：托法替尼 · Tofacitinib
托法替尼 的 CAS 登记号为 477600-75-2。
分子式 C16H20N6O，分子量 312.37。
别名/同义词：托法替尼、Tofacitinib。
登记用途：Uses: MEDICATION、Protein Kinase Inhibitors、Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al.、World Intellectual Property Organization patent 0142246、eidem、United States of America patent 7265221 (2001、2007 both to Pfizer).、Formulations、Preparations: Oral: Tablets、film-coated、5 mg (of tofacitinib)、Xeljanz (Pfizer).。
托法替尼（CAS 477600-75-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 477600-75-2 |
|---|---|
| PubChem CID | 9926791 |
| Molecular formula | C16H20N6O |
| IUPAC name | 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile |
| UNII (FDA) | 87LA6FU830 |
| Molecular Weight | 312.37 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.16985928 |
| Monoisotopic Mass | 312.16985928 |
| Topological Polar Surface Area | 88.9 |
| Heavy Atom Count | 23 |
| LogP | 1.808 |
|---|
Tofacitinib; 477600-75-2; Tasocitinib; 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; CP-690550; CP 690550; Cp-690 free base; tofacitinibum; 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile; CP690550; 87LA6FU830; CP-690550 FREE BASE; CP-690,550 FREE BASE; CP690,550; CP-690-550; CHEBI:71200
| Reported hazard statements | H301 (25%), H302 (25%), H311 (25%), H315 (25%), H319 (25%), H331 (25%), H335 (25%), H351 (25%) |
|---|
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Tofacitinib · CAS 477600-75-2 · C16H20N6O. UNII 87LA6FU830. LogP: 1.808.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Tofacitinib