Dibenzylamine penicillin G

Base Information

• Chemical Name: Dibenzylamine penicillin G
• CAS No.: 7179-52-4
• Molecular Formula: C30H33N3O4S
• Molecular Weight: 531.6657
• European Community (EC) Number: 230-542-5
• UNII: AF5F3C86Z1
• DSSTox Substance ID: DTXSID20222005
• Wikidata: Q27273903
• Mol file: 7179-52-4.mol

Synonyms:Penicillin G dibenzylamine;DIBENZYLAMINE PENICILLIN G;Penicillin G, dibenzylamine salt;EINECS 230-542-5;Penicillin G dibenzylaminsalz [German];Penicillin G dibenzylaminsalz;UNII-AF5F3C86Z1;AF5F3C86Z1;Dibenzylamine penicillin G dibenzylamine penicillin G salt;7173-27-5;7179-52-4;(2S-(2alpha,5alpha,6beta))-3,3-Dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, compound with dibenzylamine;[2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, compound with dibenzylamine;DTXSID20222005;C16H18N2O4S.xC14H15N;LS-149838;C16-H18-N2-O4-S.x-C14-H15-N;Q27273903

Chemical Property of Dibenzylamine penicillin G

Chemical Property:

• Boiling Point: 663.3°Cat760mmHg
• Flash Point: 355°C
• PSA: 124.04000
• Density: g/cm³
• LogP: 4.55690
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 531.21917772
• Heavy Atom Count: 38
• Complexity: 667

Purity/Quality:

99% ^*data from raw suppliers

PENICILLIN G DIBENZYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCC2=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.C1=CC=C(C=C1)CNCC2=CC=CC=C2