cefetamet   Click here for help

GtoPdb Ligand ID: 12416

Synonyms: Ro 15-8074
Compound class: Synthetic organic
Comment: Cefetamet is a semisynthetic, broad-spectrum, third generation cephalosporin and belongs to the β-lactam class of antibacterial compounds. To provide acceptable bioavailability for oral use it is formulated as a pivoxil ester prodrug (cefetamet pivoxil, PubChem CID 5486182) [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 197.28
Molecular weight 397.43
XLogP -2.42
No. Lipinski's rules broken 0
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Canonical SMILES CC1=C(C(=O)O)N2C(=O)[C@H]([C@H]2SC1)NC(=O)/C(=N\OC)/C3=CSC(=N3)N
Isomeric SMILES CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O
InChI InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
5330 cefetamet
Synonyms Click here for help
Ro 15-8074
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Cefetamet
Other databases
CAS Registry No. 65052-63-3 (source: Scifinder)
ChEBI CHEBI:135629
ChEMBL Ligand CHEMBL2103764
DrugBank Ligand DB13504
DrugCentral Ligand 3074
GtoPdb PubChem SID 479821207
PubChem CID 5487888
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