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Carazolol
Carazolol · CARAZOLOL HYDROCHLORIDE · bm51052 · suacron · Conducton · Conduction · Carazololum · Brn 3620576
Identifikatoren & physikalische Daten
| CAS No. | 57775-29-8 |
|---|---|
| Summenformel | C18H22N2O2 |
| Durchschnittliche Molmasse | 298,4 g/mol |
| Monoisotopische Masse | 298,16812795 g/mol |
| SMILES | CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12 |
| InChIKey | BQXQGZPYHWWCEB-UHFFFAOYSA-N |
| PubChem CID | 71739 |
| ChEMBL | CHEMBL324665 |
| ChEBI | CHEBI:135261 |
| EC No. | 260-945-1 |
| DTXSID | DTXSID00866648 |
| Lokaler Name | Carazolol |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,3 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 350 |
| LogP (Verteilungskoeffizient) | 3.4 |
| Animal Drugs | Pharmaceuticals -> Animal Drugs -> Approved in Taiwan |
| Dissociation Constants | 9.52 |
| Collision Cross Section | 165.5 Ų [M+H]+ [CCS Type: TW]173.98 Ų [M-H]- |
| Schmelzpunkt | 133-137 °C |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | insoluble in H2O≥14.8 mg/mL in DMSO≥3.9 mg/mL in EtOH |
| Aggregatzustand | Solid |
| Farbe | White to Almost white |
| Merck | 14,1778 |
| BRN | 3620576 |
| Hauptanwendungen | forensics and toxicologypharmaceutical (small molecule)veterinary |
| InChI | 1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3 |
| InChIKey | BQXQGZPYHWWCEB-UHFFFAOYSA-N |
| SMILES | CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12 |
| CAS Datenbank | 57775-29-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | 2811 |
| Zollcode | 29339900 |
| RTECS-Nr. | UA8685000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Carazolol is a promising high-affinity beta-adrenergic receptor ligand for the noninvasive determination of beta receptor status using PET