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Terazosin Hydrochloride Anhydrous
Itrin · HYTRIN · Hitrin · Vicard · Blavin · Dysalfa · Flotrin · Heitrin
Identifikatoren & physikalische Daten
| CAS No. | 63074-08-8 |
|---|---|
| Summenformel | C19H26ClN5O4 |
| Durchschnittliche Molmasse | 423,9 g/mol |
| Monoisotopische Masse | 423,16733199 g/mol |
| SMILES | COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl |
| InChIKey | IWSWDOUXSCRCKW-UHFFFAOYSA-N |
| PubChem CID | 44383 |
| ChEMBL | CHEMBL1256665 |
| EC No. | 613-138-7 |
| DTXSID | DTXSID7045493 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 103 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 544 |
| Collision Cross Section | 195.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 261-263°C |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | H2O: 25 mg/mLSoluble in water at 20mg/ml. Also soluble in methanol or ethanol. |
| Aggregatzustand | powder |
| Farbe | white to off-white |
| Stabilität | Stable for 2 years as supplied. Solutions in distilled water may be stored at -20° for up to 3 months. |
| InChI | InChI=1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)1H |
| InChIKey | IWSWDOUXSCRCKW-UHFFFAOYSA-N |
| SMILES | NC1=NC(N2CCN(C(C3OCCC3)=O)CC2)=NC2=CC(OC)=C(OC)C=C12.Cl |
| CAS Datenbank | 63074-08-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | TK8044925 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
Terazosin hydrochloride is a highly water-soluble antihypertensive agent with a structure and profile closely related to that of prazosin.
Verwenden
Terazosin hydrochloride has been used for orthogonality and similarity analysis using reversed-phase chromatographic studies5. Furthermore, terazosin has also been used for the evaluation of chemometric techniques to determine orthogonality and similarity in chromatographic methods6.