HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-2-4-(trans-4-methylcyclohexyl)aminocarbonylaminosulfonylphenylethyl-2-oxo-
cis-Glimepiride · Glimepiride imp A · imepiride ImpurityⅤ · GLIMEPIRIDE EP IMP A · GliMepiride EP IMpurity A · Glimepiride USP Impurity A · Glimepiride EP impurity A -J · Glimepiride Impurity (cis-isomer)
Identifikatoren & physikalische Daten
| CAS No. | 261361-60-8 |
|---|---|
| Summenformel | C24H34N4O5S |
| Durchschnittliche Molmasse | 490,6 g/mol |
| Monoisotopische Masse | 490,22499119 g/mol |
| SMILES | CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O |
| InChIKey | WIGIZIANZCJQQY-UHFFFAOYSA-N |
| PubChem CID | 3476 |
| ChEMBL | CHEMBL149223 |
| ChEBI | CHEBI:5383 |
| EC No. | 642-221-0 |
| DTXSID | DTXSID20861130 |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 133 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 34 |
| Formalladung | 0 |
| Komplexität | 895 |
| Arzneimittel | PharmaceuticalsPharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 3.52.67 |
| Löslichkeit | Partly miscible3.84e-02 g/L>73.6 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly), Methanol (Slightly, Heated) |
| Schmelzpunkt | 207 °C197-201°C |
| Physical Description | Solid |
| Collision Cross Section | 216.6 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Dichte | 1.29±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 5.10±0.10(Predicted) |
| Farbe | Off-White |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChIKey | WIGIZIANZCJQQY-UWUNEBHHSA-N |
| SMILES | [S](=O)(=O)(NC(=O)N[C@@H]3CC[C@@H](CC3)C)c1ccc(cc1)CCNC(=O)N2CC(=C(C2=O)CC)C |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-2-4-(trans-4-methylcyclohexyl)aminocarbonylaminosulfonylphenylethyl-2-oxo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Repr. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Repr. 2 |
Anwendungen & Verwendung
Verwenden
cis-Glimepiride (Glimepiride EP Impurity A) is the cis-isomer of Glimepiride found in a bulk drug substance.