Sitagliptin monohydrate (CAS 486460-32-6) — formula C16H15F6N5O, molecular weight 407.31.
| CAS Number | 486460-32-6 |
|---|---|
| Molecular Formula | C16H15F6N5O |
| Molecular Weight | 407.31 |
| LogP | 1.5 |
| 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 |
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 chemical compound with CAS registry number 486460-32-6 and molecular formula C16H15F6N5O (molecular weight 407.31).
CAS number: 486460-32-6
Its molecular formula C16H15F6N5O comprises 16 C, 15 H, 6 F, 5 N, 1 O atoms.
Also known as: Sitagliptin monohydrate · 西格列汀一水合物 · Sitagliptin
The CAS registry number of Sitagliptin monohydrate is 486460-32-6.
Molecular formula C16H15F6N5O, molecular weight 407.31.
It is also registered under: Sitagliptin monohydrate, 西格列汀一水合物, Sitagliptin.
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.
Independent reference data for Sitagliptin monohydrate (CAS 486460-32-6), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 西格列汀一水合物