Calcium 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Base Information

• Chemical Name: Calcium 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• CAS No.: 1406-07-1
• Molecular Formula: C32H34CaN4O8S2
• Molecular Weight: 706.8424
• European Community (EC) Number: 215-795-1
• Mol file: 1406-07-1.mol

Synonyms:calcium 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;1406-07-1;calcium;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Chemical Property of Calcium 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.69E-18mmHg at 25°C
• Boiling Point: 663.3°Cat760mmHg
• Flash Point: 355°C
• PSA: 167.88000
• Density: g/cm³
• LogP: 3.17180
• 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

PENICILLIN CALCIUM 95.00% ^*data from reagent 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]