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3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Sitagliptin hydrochloride · 3-(trifluoromethyl)-5,6,7,8-tetrahydro · Sitagliptin Triazole Hydrochloride · 3-(TRIFLUOROMETHYL)-5,6,7,8- TETRAHYDRO[1,2,4]TRIAZOLO[4,3- · 3-(Trifluoromethyl)-5 · Sitagliptin interMediate A · 3-trifluoro Methyl-[1,2,4]triazole[4,3-a]piperazine hydrochloride · 3-(Trifluoromethyl)-5 6 7 8-tetrahydro-1 2 4triazolo4 3-apyrazine hydroch
![Molekülstruktur von 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride](/img/chemical/11961371.png)
Identifikatoren & physikalische Daten
| CAS No. | 762240-92-6 |
|---|---|
| Summenformel | C6H8ClF3N4 |
| Durchschnittliche Molmasse | 228,6 g/mol |
| Monoisotopische Masse | 228,0389586 g/mol |
| SMILES | Cl.FC(F)(F)c1nnc2n1CCNC2 |
| InChIKey | AQCSCRYRCRORET-UHFFFAOYSA-N |
| PubChem CID | 11961371 |
| ChEMBL | CHEMBL6144771 |
| EC No. | 616-309-4 |
| DTXSID | DTXSID20474800 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 42,7 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 195 |
| Schmelzpunkt | 236-246°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H21H |
| InChIKey | AQCSCRYRCRORET-UHFFFAOYSA-N |
| SMILES | C12=NN=C(C(F)(F)F)N1CCNC2.[H]Cl |
| CAS Datenbank | 762240-92-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 35 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 31-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/29463 |
| Hazard Classes and Categories | Skin Irrit. 2 (97.1%) |
| UN-Transportnummer | UN2811 |
| Zollcode | 2933599577 |
| R-Sätze (R) | 25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45 |
Anwendungen & Verwendung
Beschreibung
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride is a pharmaceutical intermediate compound used in the preparation of Sitagliptin phosphate. Sitagliptin is an oral hypoglycaemic agent, a dipeptidyl peptidase-4 inhibitor, which is used in the treatment of type 2 diabetes.