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1,4:3,6-Dianhydro-D-glucitol-2-nitrat
2-ismn · IS-2-MN · inorganicnitrates, · isosorbide2-nitrate · 2-isosorbide mononitrate · Isosorbide-2-nitrate CRS · Isosorbide EP Impurity B · Isosorbide 2-mononitrate
Identifikatoren & physikalische Daten
| CAS No. | 16106-20-0 |
|---|---|
| Summenformel | C6H9NO6 |
| Durchschnittliche Molmasse | 191,14 g/mol |
| Monoisotopische Masse | 191,04298701 g/mol |
| SMILES | O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O |
| InChIKey | YWXYYJSYQOXTPL-JGWLITMVSA-N |
| PubChem CID | 62989 |
| ChEMBL | CHEMBL1310 |
| EC No. | 240-271-4 |
| DTXSID | DTXSID40873331 |
| Lokaler Name | 1,4:3,6-Dianhydro-D-glucitol-2-nitrat |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 93,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 216 |
| Arzneimittel | Pharmaceuticals -> Metabolite of Isosorbide Dinitrate |
| Schmelzpunkt | >51.5°C |
| Siedepunkt | 326.86°C (rough estimate) |
| Dichte | 1.5784 (rough estimate) |
| Brechungsindex | 1.4860 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Sparingly), Ethanol (Slightly), Methanol (Slightly) |
| Aggregatzustand | crystalline powder |
| pKa (Säurekonstante) | 13.09±0.40(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH242 (60%): Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, 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, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | D-Glucitol, 1,4:3,6-dianhydro-, 2-nitrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Self-react. E (60%) |
| Zollcode | 2932999000 |
| RTECS-Nr. | LZ4385500 |
Anwendungen & Verwendung
Verwenden
Isosorbide 2-mononitrate is a metabolite of Isosorbide Dinitrate. Used as an antianginal.