Temocillin disodium salt

Base Information

• Chemical Name: Temocillin disodium salt
• CAS No.: 61545-06-0
• Molecular Formula: C16H18N2O7S2^.2Na
• Molecular Weight: 460.43
• European Community (EC) Number: 262-835-9
• UNII: 96IIP39ODH
• DSSTox Substance ID: DTXSID50977112
• Wikidata: Q27123437
• Mol file: 61545-06-0.mol

Synonyms:BRL 17421;disodium 6beta-(2-carboxy-2-thien-3-ylacetamido)-6alpha-methoxypenicillanate;temocillin;temocillin, (2S-(2alpha,5alpha,6alpha))-isomer

Chemical Property of Temocillin disodium salt

Chemical Property:

• Boiling Point: 761.9 °C at 760 mmHg
• Flash Point: 414.6 °C
• PSA: 190.27000
• Density: 1.6g/cm3
• LogP: 1.30030
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 458.01943176
• Heavy Atom Count: 29
• Complexity: 689

Purity/Quality:

>95% ^*data from raw suppliers

Temocillin Disodium Salt ^*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)C(C3=CSC=C3)C(=O)[O-])OC)C(=O)[O-])C.[Na+].[Na+]
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)[O-])OC)C(=O)[O-])C.[Na+].[Na+]
• Recent EU Clinical Trials: Temocillin pharmacokinetics in paediatrics
• Uses: Temocillin Disodium is the salt of Temocillin, which is a β-lactam stable against most β-lactamases is used as an alternative to carbapenems.