Benzathine benzylpenicillin

Base Information

• Chemical Name: Benzathine benzylpenicillin
• CAS No.: 1538-09-6
• Deprecated CAS: 12705-12-3,141676-23-5,2792-46-3,5968-77-4,77087-98-0,8048-79-1,141676-23-5,2792-46-3,77087-98-0,8048-79-1
• Molecular Formula: C48H56N6O8S2
• Molecular Weight: 909.13
• European Community (EC) Number: 216-260-5
• UNII: SSZ1S4I0US
• DSSTox Substance ID: DTXSID2047804
• Wikipedia: Benzathine_benzylpenicillin
• Wikidata: Q868435
• NCI Thesaurus Code: C169806
• ChEMBL ID: CHEMBL3182097
• Mol file: 1538-09-6.mol

Synonyms:Bencelin;Benzathine Benzylpénicilline Panpharma;Benzathine Benzylpenicillin;Benzathine Penicillin;Benzathine, Penicillin G;Benzetacil;Benzylpenicillin, Benzathine;Bicillin;Bicillin L A;Bicillin L-A;Bicillin LA;Brevicilina;Cepacilina;Debecillin;Extencilline;Pendepon;Penduran;Pendysin;Penicillin G Benzathine;Penicillin G Benzathine Anhydrous;Penicillin, Benzathine;Penidural;Peniroger Retard;Permapen;Provipen Benzatina;Tardocillin

Chemical Property of Benzathine benzylpenicillin

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 1.69E-18mmHg at 25°C
• Melting Point: 123-124oC
• Boiling Point: 663.3 °C at 760 mmHg
• Flash Point: 355 °C
• PSA: 248.08000
• LogP: 5.72700
• Solubility.: Very slightly soluble in water, freely soluble in dimethylformamide and in formamide, slightly soluble in ethanol (96 per cent).
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 908.36010511
• Heavy Atom Count: 64
• Complexity: 701

Purity/Quality:

99% ^*data from raw suppliers

Penicillin G benzathine anhydrous ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-42/43
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• Recent ClinicalTrials: Treatment Responses of Early Syphilis to Ceftriaxone Plus Doxycycline
• Description: Benzathine penicillin and procaine penicillin is an antibiotic that fights bacteria in your body. Benzathine penicillin and procaine penicillin is used to treat many different types of severe infections, including strep and staph infections, diphtheria, meningitis, gonorrhea, and syphilis. It is also used to prevent rheumatic fever. It is given by injection into a muscle. Belonging to a penicillin-class drug, its mechanism of action is inhibiting the cell wall synthesis of bacteria, further killing bacteria.
• Uses: The benzathine salt of penicillin G, an antibiotic used in the treatment of various bacterial infections, including Staphylococcus aureus. Benzathine benzylpenicillin is used as a Penicillin antibacterial.
• Therapeutic Function: Antibacterial
• Clinical Use: Since penicillin G benzathine, N,N'-dibenzylethylenediaminedipenicillin G (Bicillin, Permapen), is the salt of a diamine,2 moles of penicillin are available from each molecule. It isvery insoluble in water, requiring about 3,000 mL to dissolve1 g. This property gives the compound great stabilityand prolonged duration of effect. At the pH of gastric juice,it is quite stable, and food intake does not interfere with itsabsorption. It is available in tablet form and in several parenteralpreparations. The activity of penicillin G benzathineis equivalent to 1,211 units/mg.Several other amines have been used to make penicillinsalts, and research is continuing on this subject. Otheramines that have been used include 2-chloroprocaine; L-Nmethyl-1,2-diphenyl-2-hydroxyethylamine (L-ephenamine);dibenzylamine; tripelennamine (Pyribenzamine); and N,N'-bis-(dehydroabietyl)ethylenediamine (hydrabamine).