HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Nitrazepam
Ntz · 1,3-dihydro-7-nitro-5-phenyl-2h-4-benzodiazepin-2-one · la1 · Neozepam · Nitrazepam (CRM) · 1,3-dihydro-7-nitro-5-phenyl-1,4-benzodiazepin-2-one · 7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one · 7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Identifikatoren & physikalische Daten
| CAS No. | 146-22-5 |
|---|---|
| Summenformel | C15H11N3O3 |
| Durchschnittliche Molmasse | 281,27 g/mol |
| Monoisotopische Masse | 281,08004122 g/mol |
| SMILES | O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1 |
| InChIKey | KJONHKAYOJNZEC-UHFFFAOYSA-N |
| PubChem CID | 4506 |
| ChEMBL | CHEMBL13209 |
| ChEBI | CHEBI:7581 |
| EC No. | 205-665-2 |
| DTXSID | DTXSID5023372 |
| Lokaler Name | Nitrazepam |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 87,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 452 |
| LogP (Verteilungskoeffizient) | 2.25 |
| LogS | -3.8 |
| Löslichkeit | 2.99e-02 g/L>42.2 [ug/mL] (The mean of the results at pH 7.4)Practically insoluble in water, slightly soluble in ethanol (96 per cent).3.93mg/L(25 ºC) |
| Schmelzpunkt | 225225 °C223-227C |
| Physical Description | Solid |
| Kovats Retention Index | 27442720274027652770277227752777277827802849.92790.427552779.82820 |
| Collision Cross Section | 166.3 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated]163.6 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Siedepunkt | 423.94°C (rough estimate) |
| Dichte | 1.2309 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Flammpunkt | 2℃ |
| Lagerbedingungen | Controlled Substance, -20°C Freezer |
| pKa (Säurekonstante) | pKa 2.90 ± 0.0510.39±0.04(H2O,t =25,I=0.015(KCl))(Approximate) |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) |
| InChIKey | KJONHKAYOJNZEC-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1 |
| CAS Datenbank | 146-22-5(CAS DataBase Reference) |
| NIST chemische Informationen | Nitrazepam(146-22-5) |
| EPA chemische Informationen | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl- (146-22-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | DEA schedule IV controlled substanceNitrazepam: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-: Environment tier I assessmentIMAP assessments - 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Treatment | General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended. |
Anwendungen & Verwendung
Verwenden
Anticonvulsant; hypnotic. Controlled substance (depressant)