Sitagliptin monohydrate (CAS 654671-77-9) — formula C16H15F6N5O, molecular weight 407.31; category organic chemicals.
Sitagliptin monohydrate (CAS 654671-77-9) is a chemical raw material in the organic chemicals category. Its molecular formula C16H15F6N5O comprises 16 C, 15 H, 6 F, 5 N, 1 O atoms. Its molecular weight is about 407.31. Reported physicochemical data: LogP about 1.5. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 654671-77-9 |
|---|---|
| Molecular Formula | C16H15F6N5O |
| Molecular Weight | 407.31 |
| LogP | 1.5 |
| Applications | MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611 |
| Category | Organic Chemicals |
Documented applications: MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611.
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: MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611.
Category: Organic Chemicals.
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Independent reference data for Sitagliptin monohydrate (CAS 654671-77-9), compiled from public chemistry databases.
| CAS Number | 654671-77-9 |
|---|---|
| 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 notifications | 2.4% (1 / 41) |
|---|
| GHS notifications | 2.4% (1 / 41) |
|---|---|
| Notified hazard statements | H302 (92.7%), H318 (87.8%), H373 (95.1%) |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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