cephalothin   Click here for help

GtoPdb Ligand ID: 8798

Synonyms: cefalotin sodium | Keflin®
Approved drug PDB Ligand
cephalothin is an approved drug
Compound class: Synthetic organic
Comment: Cephalothin is a cephalosporin antibiotic belonging to the β-lactam group.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 166.55
Molecular weight 396.04
XLogP -0.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1cccs1
Isomeric SMILES CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1
InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
InChI Key XIURVHNZVLADCM-IUODEOHRSA-N
No information available.
Summary of Clinical Use Click here for help
Used to treat bacterial infections. Cephalothin does not appear to be approved by the US FDA or EU EMA. Individual national approval agencies may have granted marketing approval.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
A bactericidal agent which kills by reducing bacterial cell wall integrity/synthesis.