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Chemical structure of Cefotetan

GC38032

Cefotetan

Also known as (7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Cefotetan is a semisynthetic cephamycin antibiotic that exerts its bactericidal effects by inhibition of cell-wall synthesis

ChemicalCAS69712-56-7MW575.62FormulaC17H17N7O8S4
CAS number
69712-56-7
Molecular weight
575.62
Formula
C17H17N7O8S4
Solubility
DMSO: 250 mg/mL (434·31 mM)
InChIKey
SRZNHPXWXCNNDU-PGEKIEPBSA-N
Catalogue number
GC38032
Brand
GLPBIO
Computed properties PubChem CID 50614 · XLogP 0.1 · TPSA 321 Ų · H-bond donors 4
XLogP
0.1
TPSA
321 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
9
Heavy atoms
36

SMILES CN1C(=NN=N1)SCC2=C(N3C([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O

Computed descriptors from PubChem (CID 50614), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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