HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pasiniazid
Dipasic · Pashain · Nidrapas · Fintozid · PASINIAZID · Pascidaber · Paraniazide · Pasiniazid USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 2066-89-9 |
|---|---|
| Summenformel | C13H14N4O4 |
| Durchschnittliche Molmasse | 290,27 g/mol |
| Monoisotopische Masse | 290,10150494 g/mol |
| SMILES | NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1 |
| InChIKey | RKPHTRVPGYGVQD-UHFFFAOYSA-N |
| PubChem CID | 16367 |
| ChEMBL | CHEMBL1496806 |
| EC No. | 218-183-2 |
| DTXSID | DTXSID50174700 |
| Lokaler Name | Pasiniazid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 152 |
|---|---|
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 280 |
| Schmelzpunkt | 142-144° |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Water |
| Aggregatzustand | Solid |
| Farbe | Light yellow to khaki |
| Hauptanwendungen | forensics and toxicologypharmaceutical (small molecule) |
| InChI | InChI=1S/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-47-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11)1-4H,7H2,(H,9,10) |
| InChIKey | RKPHTRVPGYGVQD-UHFFFAOYSA-N |
| SMILES | C1(C(=O)O)C=CC(N)=CC=1O.C1(C(=O)NN)=CC=NC=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Pasiniazid is an antituberculous agents against several species of rapidly growing mycobacteria (RGM).