HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Procain-Penicillin
PENICILLIN G PROCAINE · PROCAINE BENZYLPENICILLIN · benzylpenicillin procaine · Benzyl Pencillin Procaine · benzylpenicillin novocaine salt · duphapen · depocillin · hostacillin
Identifikatoren & physikalische Daten
| CAS No. | 54-35-3 |
|---|---|
| Summenformel | C29H38N4O6S |
| Durchschnittliche Molmasse | 570,7 g/mol |
| Monoisotopische Masse | 570,25120594 g/mol |
| SMILES | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1 |
| InChIKey | WHRVRSCEWKLAHX-LQDWTQKMSA-N |
| PubChem CID | 5903 |
| ChEMBL | CHEMBL1200936 |
| DTXSID | DTXSID30883227 |
| Lokaler Name | Procain-Penicillin |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 168 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 40 |
| Formalladung | 0 |
| Komplexität | 752 |
| Löslichkeit | Slightly solubleDMSO: 100 mg/mL (175.22 mM)Ethanol: 20 mg/mL (35.04 mM)Water: 10 mg/mL (17.52 mM) |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntibacterial AgentsPenicillinsFDA approved drugs -> Active ingredientAccess group antibiotics |
| Animal Drugs | Active Ingredients (Penicillin G Procaine) -> FDA GreenbookPharmaceuticals -> UK Veterinary Medicines Directorate List |
| Schmelzpunkt | 129-130 °C |
| Dichte | 1.1335 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Store at -20°C |
| InChIKey | WHRVRSCEWKLAHX-RLWRCNEPNA-N |
| SMILES | N12[C@@H](C(=O)O)C(C)(C)S[C@@]1([C@H](NC(CC1C=CC=CC=1)=O)C2=O)[H].C1(=CC=C(N)C=C1)C(=O)OCCN(CC)CC |&1:1,9,10,r| |
| CAS Datenbank | 54-35-3 |
| EPA chemische Informationen | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate (1:1) (54-35-3) |
Sicherheit & Vorschriften
| Weitere Sicherheitsinformationen | IMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2.alpha.,5.alpha.,6.beta.)]-, compound with 2-(diethylamino)ethyl 4-aminobenzoate (1:1): Environment tier I assessment |
|---|---|
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | LD50 orl-rat: >2 g/kg ABANAE 3,534,55/56 |
Anwendungen & Verwendung
Verwenden
Antibacterial.