cefminox   Click here for help

GtoPdb Ligand ID: 12255

Synonyms: MT 141
Compound class: Synthetic organic
Comment: Cefminox is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 278.76
Molecular weight 519.07
XLogP -3.72
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CO[C@@]1(NC(=O)CSC[C@H](C(=O)O)N)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C
Isomeric SMILES Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC1)C(=O)O
InChI InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8-,14-,16+/m1/s1
InChI Key JSDXOWVAHXDYCU-VXSYNFHWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6R,7S)-7-[[2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
5679 cefminox
Synonyms Click here for help
MT 141
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo
Other databases
CAS Registry No. 84305-41-9 (source: Scifinder)
ChEBI CHEBI:135817
ChEMBL Ligand CHEMBL1276342
DrugBank Ligand DB09062
DrugCentral Ligand 540
GtoPdb PubChem SID 473153843
PubChem CID 71141
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UniChem Compound Search for chemical match using the InChIKey JSDXOWVAHXDYCU-VXSYNFHWSA-N
UniChem Connectivity Search for chemical match using the InChIKey JSDXOWVAHXDYCU-VXSYNFHWSA-N