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(+)-1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Timolol EP Impurity A · L 714465 · d-Timolol · Timolol R-isomer / Timolol EP Impurity-A · Timolol Impurity 1（Timolol EP Impurity A） · Timolol EP Impurity A/ Timolol Related Compound A · (2R)-1-(tert-Butylamino)-3-(4-morpholino-1,2,5-thiadiazole-3-yloxy)-2-propanol · ( )-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
![Molekülstruktur von (+)-1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol](/img/chemical/168613.png)
Identifikatoren & physikalische Daten
| CAS No. | 26839-76-9 |
|---|---|
| Summenformel | C13H24N4O3S |
| Durchschnittliche Molmasse | 316,42 g/mol |
| Monoisotopische Masse | 316,15691181 g/mol |
| SMILES | CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 |
| InChIKey | BLJRIMJGRPQVNF-SNVBAGLBSA-N |
| PubChem CID | 168613 |
| ChEMBL | CHEMBL1744069 |
| ChEBI | CHEBI:39466 |
| EC No. | 248-033-1 |
| DTXSID | DTXSID801318141 |
| Lokaler Name | (+)-1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 108 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 310 |
| Siedepunkt | 487.249±45.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.224±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Löslichkeit | Chloroform (Slightly), DMSO (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Thick Oil |
| pKa (Säurekonstante) | 13.376±0.20(predicted) |
| Farbe | Colourless to Yellow |
| InChI | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3 |
| InChIKey | BLJRIMJGRPQVNF-UHFFFAOYSA-N |
| SMILES | C(NC(C)(C)C)C(O)COC1C(N2CCOCC2)=NSN=1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposureNarcotic effects]P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (R)-: Human health tier I assessment |
| Hazard Classes and Categories | STOT SE 3 (100%) |
Anwendungen & Verwendung
Verwenden
(R)-Timolol is an antihypertensive agent that increases ocular blood flow and reduces intraocular pressure. (R)-Timolol is an β-adrenergic blocking agent that binds only to nonspecific sites in the pa rticulate fraction of the heart, lungs, and brain.