Pyrimidine penicillin G

Base Information

• Chemical Name: Pyrimidine penicillin G
• CAS No.: 59413-33-1
• Molecular Formula: C20H22N4O4S
• Molecular Weight: 414.4781
• UNII: 46917D13T1
• DSSTox Substance ID: DTXSID80208143
• Wikidata: Q27258914

Synonyms:pyrimidine penicillin G

Chemical Property of Pyrimidine penicillin G

Chemical Property:

• Vapor Pressure: 1.69E-18mmHg at 25°C
• Boiling Point: 663.3°C at 760 mmHg
• Flash Point: 355°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 414.13617637
• Heavy Atom Count: 29
• Complexity: 563

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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.C1=CN=CN=C1
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CN=CN=C1

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