Penicillin G calcium

Base Information

• Chemical Name: Penicillin G calcium
• CAS No.: 973-53-5
• Molecular Formula: C16H18 N2 O4 S . 1/2 Ca
• Molecular Weight: 376.48
• European Community (EC) Number: 215-795-1
• UNII: Z1GL5S1Z1Z
• ChEMBL ID: CHEMBL2105364
• Wikidata: Q27294877

Synonyms:Penicillin G calcium;Penicillin calcium;Calcium Penicillin G;Benzylpenicillin calcium;973-53-5;Z1GL5S1Z1Z;PENICILLIN G, CALCIUM SALT;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((2-phenylacetyl)amino)- (2S,5R,6R)-, calcium salt (2:1);UNII-Z1GL5S1Z1Z;Calcium pencillin;Penicillin, calcium salt;Penicillin calcium [USP];SCHEMBL243137;CHEMBL2105364;PENICILLIN G CALCIUM [MI];EINECS 215-795-1;BENZYLPENICILLIN CALCIUM [WHO-DD];BENZYLPENICILLINIC ACID CALCIUM SALT;Q27294877

Chemical Property of Penicillin G calcium

Chemical Property:

• Vapor Pressure: 1.69E-18mmHg at 25°C
• Boiling Point: 663.3°Cat760mmHg
• Flash Point: 355°C
• PSA: 236.66000
• Density: g/cm³
• LogP: 1.81580
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 706.1443973
• Heavy Atom Count: 47
• Complexity: 525

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

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.[Ca+2]
• 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.[Ca+2]

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