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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/3033332.png)
Identifikatoren & physikalische Daten
| CAS No. | 66357-59-3 |
|---|---|
| Summenformel | C13H23ClN4O3S |
| Durchschnittliche Molmasse | 350,87 g/mol |
| Monoisotopische Masse | 350,1179395 g/mol |
| SMILES | CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl |
| InChIKey | GGWBHVILAJZWKJ-KJEVSKRMSA-N |
| PubChem CID | 3033332 |
| ChEMBL | CHEMBL2110372 |
| EC No. | 266-333-0 |
| 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 | This chemical does not meet GHS hazard criteria for 3.9% (3 of 76) of reports.DangerH315 (85.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (93.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (86.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (92.1%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (92.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 76 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 76 reports by companies.There are 12 notifications provided by 73 of 76 reports by companies with hazard statement code(s).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 | Ranitidine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Allergic contact dermatitis reported in pharmaceutical workers[Kanerva, p. 1170] Ranitidine is a drug to reduce acid secretion in the stomach. Many side effects have been reported after ingestion of therapeutic doses including, rarely, drug-induced hepatitis. [HSDB] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Irrit. 2 (100%)Resp. Sens. 1 (96.3%)STOT SE 3 (100%)Skin Irrit. 2 (85.5%)Skin Sens. 1 (93.4%)Eye Irrit. 2 (86.8%)Resp. Sens. 1 (92.1%)STOT SE 3 (92.1%) |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Ranitidine hydrochloridevLess-DILI-concern5Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during LactationAlthough interpatient variability exists, the dose of ranitidine in breastmilk is less than the dose used in newborn infants. Ranitidine itself is not a concern during breastfeeding, but it can break down to a toxic compound if not formulated and stored properly. An alternate drug might be preferred.◉ Effects in Breastfed InfantsOne 54-day-old breastfed infant had no observable adverse effects after maternal ingestion of ranitidine 150 mg every 12 hours for 2 days.◉ Effects on Lactation and BreastmilkHistamine H2-receptor blockade is known to stimulate prolactin secretion. Ranitidine in intravenous doses over 100 mg or during long-term oral use have increased serum prolactin in some studies, and rare cases of gynecomastia have been reported. The prolactin level in a mother with established lactation may not affect her ability to breastfeed. |
| 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.