Benzathine cefotaxime

Base Information

• Chemical Name: Benzathine cefotaxime
• CAS No.: 127627-69-4
• Molecular Formula: C48H54N12O14S4
• Molecular Weight: 695.81
• Mol file: 127627-69-4.mol

Synonyms:BCTX;benzathine cefotaxime

Chemical Property of Benzathine cefotaxime

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 0.00000
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 23
• Exact Mass: 1150.27652914
• Heavy Atom Count: 78
• Complexity: 1000

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O.CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• Isomeric SMILES: CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O.CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2