HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitrovinylidendiaminhydrochlorid
noctone · Ranitidine Hydrochlooride · RANITIDINEHYDROCHLORIDE,USP · Ranitidine hydrochloride CRS · Zamec · ZANTAC · Melfax · Zintac
![Molekülstruktur von N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitrovinylidendiaminhydrochlorid](/img/chemical/47909.png)
Identifikatoren & physikalische Daten
| CAS No. | 66357-59-3 |
|---|---|
| Summenformel | C13H23ClN4O3S |
| Durchschnittliche Molmasse | 350,87 g/mol |
| Monoisotopische Masse | 350,11793928 g/mol |
| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl |
| InChIKey | GGWBHVILAJZWKJ-UHFFFAOYSA-N |
| PubChem CID | 47909 |
| EC No. | 275-207-4 |
| DTXSID | DTXSID201015892 |
| Lokaler Name | N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitrovinylidendiaminhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 112 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 347 |
| Schmelzpunkt | 134°C (dec.) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | H2O: 1.8 mg/mLSoluble in water, 2-hydroxypropyl-beta-cyclodextrin, acetic acid, methanol, ethanol and dimethyl sulfoxide. Insoluble in chloroform. |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 8.27 (pKa2) |
| Farbe | tan |
| Merck | 14,8110 |
| BCS Class | 3/1 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H31H/b13-9+ |
| InChIKey | GGWBHVILAJZWKJ-KJEVSKRMSA-N |
| SMILES | C(/NC)(\NCCSCC1OC(CN(C)C)=CC=1)=C/[N+]([O-])=O.[H]Cl |
| CAS Datenbank | 66357-59-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 2932190002 |
| RTECS-Nr. | KM6557000 |
| R-Sätze (R) | 20/21/22-39/23/24/25-23/24/25-11 |
| Gefahrensymbole | F,T |
| Sicherheitshinweise (S) | 22-24/25-45-36/37-16-7 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Anwendungen & Verwendung
Verwenden
An H-2 histamine receptor antagonistRanitidine hydrochloride is mainly used as an H2-receptor antagonist and helps in the treatment of gastrointestinal lesions because of excessive gastric acid secretion. It also serves as an antiulcer drug.