Penicillin G benzathine and penicillin G procaine

Base Information

• Chemical Name: Penicillin G benzathine and penicillin G procaine
• CAS No.: 8069-87-2
• Molecular Formula: C77H94N10O14S3
• Molecular Weight: 1479.82386
• DSSTox Substance ID: DTXSID00230507
• Mol file: 8069-87-2.mol

Synonyms:Duopen;Bicillin Fortified;Combi-Pen-48;BICILLIN C-R 900/300;Penicillin G Benzathine / Penicillin G Procaine;Penicillin G benzathine and penicillin G procaine;8069-87-2;DTXSID00230507;C16H20N2.2C16H18N2O4S.C16H18N2O4S.C13H20N2O2;C16-H20-N2.2C16-H18-N2-O4-S.C16-H18-N2-O4-S.C13-H20-N2-O2

Chemical Property of Penicillin G benzathine and penicillin G procaine

Chemical Property:

• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 26
• Exact Mass: 1478.61131123
• Heavy Atom Count: 104
• Complexity: 923

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.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.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: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.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.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