Sitagliptin monohydrate (CAS 654671-77-9) — formula C16H15F6N5O, molecular weight 407.31; category organic chemicals.
Documented applications: 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.
Sitagliptin monohydrate is a carbon-based organic compound with CAS registry number 654671-77-9 and molecular formula C16H15F6N5O (molecular weight 407.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 654671-77-9
Its molecular formula C16H15F6N5O comprises 16 C, 15 H, 6 F, 5 N, 1 O atoms.
Also known as: Sitagliptin monohydrate · sitagliptin phosphate
Category: organic chemicals
The CAS registry number of Sitagliptin monohydrate is 654671-77-9.
Molecular formula C16H15F6N5O, molecular weight 407.31.
It is also registered under: Sitagliptin monohydrate, sitagliptin phosphate.
Recorded applications: 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.
Category: Organic Chemicals.
Public-database records for Sitagliptin monohydrate (CAS 654671-77-9), reproduced here for independent cross-checking.
| GHS 通报统计 | 2.4% (1 / 41) |
|---|---|
| 已通报的危害声明 | H302 (92.7%), H318 (87.8%), H373 (95.1%) |
| GHS 通报统计 | 2.4% (1 / 41) |
|---|
| 溶解度 | 3.40e-02 g/L |
|---|---|
| LogP | 1.5 |
| CAS 号 | 654671-77-9 |
|---|---|
| PubChem CID | 4369359 |
| 分子式 | C16H15F6N5O |
| IUPAC 名称 | (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 |
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
| 分子量 | 407.31 |
|---|---|
| XLogP3 | 0.7 |
| 氢键供体数 | 1 |
| 氢键受体数 | 10 |
| 可旋转键数 | 4 |
| 精确质量 | 407.11807909 |
| 单同位素质量 | 407.11807909 |
| 拓扑极性表面积 | 77 |
| 重原子数 | 28 |
| 形式电荷 | 0 |
磷酸西他列汀一水合物 · CAS 654671-77-9 · C16H15F6N5O. UNII QFP0P1DV7Z. 溶解度: 3.40e-02 g/L; LogP: 1.5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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