西格列汀一水合物（CAS 486460-32-6）：分子式 C16H15F6N5O、分子量 407.31。
| CAS号 | 486460-32-6 |
|---|---|
| 分子式 | C16H15F6N5O |
| 分子量 | 407.31 |
| LogP | 1.5 |
| 应用领域 | Uses: MEDICATION、Hypoglycemic Agents、Use (kg、approx.) in Germany (2009): >5000、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Excretion rate: 0.79、Calculated removal (%): 1.9、Methods of Manufacturing: Preparation: S. D. Edmondson et al、World Intellectual Property Organization patent 03004498、eidem、United States of America patent 6699871 (2003、2004 both to Merck & Co).、Formulations、Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210]、Table: Sitagliptin Phosphate Combinations Preparations [Table#7211]、Xelevia、Sitagliptin monophosphate monohydrate、Tesavel |
登记用途：Uses: MEDICATION、Hypoglycemic Agents、Use (kg、approx.) in Germany (2009): >5000、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Excretion rate: 0.79、Calculated removal (%): 1.9、Methods of Manufacturing: Preparation: S. D. Edmondson et al、World Intellectual Property Organization patent 03004498、eidem、United States of America patent 6699871 (2003、2004 both to Merck & Co).、Formulations、Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210]、Table: Sitagliptin Phosphate Combinations Preparations [Table#7211]、Xelevia、Sitagliptin monophosphate monohydrate、Tesavel。
西格列汀一水合物 是一种化工化合物，登记 CAS 号为 486460-32-6，分子式 C16H15F6N5O（分子量 407.31）。
登记 CAS 号：486460-32-6
其分子式 C16H15F6N5O 由 16 个碳、15 个氢、6 个氟、5 个氮、1 个氧 组成。
别名/同义词：西格列汀一水合物 · Sitagliptin monohydrate · Sitagliptin
西格列汀一水合物 的 CAS 登记号为 486460-32-6。
分子式 C16H15F6N5O，分子量 407.31。
别名/同义词：西格列汀一水合物、Sitagliptin monohydrate、Sitagliptin。
登记用途：Uses: MEDICATION、Hypoglycemic Agents、Use (kg、approx.) in Germany (2009): >5000、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Excretion rate: 0.79、Calculated removal (%): 1.9、Methods of Manufacturing: Preparation: S. D. Edmondson et al、World Intellectual Property Organization patent 03004498、eidem、United States of America patent 6699871 (2003、2004 both to Merck & Co).、Formulations、Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210]、Table: Sitagliptin Phosphate Combinations Preparations [Table#7211]、Xelevia、Sitagliptin monophosphate monohydrate、Tesavel。
西格列汀一水合物（CAS 486460-32-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 486460-32-6 |
|---|---|
| PubChem CID | 4369359 |
| Molecular formula | C16H15F6N5O |
| IUPAC name | (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one |
| UNII (FDA) | QFP0P1DV7Z |
| Molecular Weight | 407.31 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 407.11807909 |
| Monoisotopic Mass | 407.11807909 |
| Topological Polar Surface Area | 77 |
| Heavy Atom Count | 28 |
| Solubility | 3.40e-02 g/L |
|---|---|
| LogP | 1.5 |
Sitagliptin; 486460-32-6; Januvia; Zituvio; sitagliptina; sitagliptine; LEZ763; sitagliptinum; QFP0P1DV7Z; LEZ-763; CHEBI:40237; DTXSID70197572; ZITUVIMET COMPONENT SITAGLIPTIN; RefChem:6227; DTXCID30120063; 690-730-1
| GHS notification summary | 2.4% (1 / 41) |
|---|
| GHS notification summary | 2.4% (1 / 41) |
|---|---|
| Reported hazard statements | H302 (92.7%), H318 (87.8%), H373 (95.1%) |
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Sitagliptin · CAS 486460-32-6 · C16H15F6N5O. UNII QFP0P1DV7Z. Solubility: 3.40e-02 g/L; LogP: 1.5.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Sitagliptin monohydrate