Molecular Identity
cefotetan
(6R,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
PubChem CID: 53025
Cefotetan is a semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. It has a role as an antibacterial drug. It is a conjugate acid of a cefotetan(2-).
2D Structure
Properties
C17H17N7O8S4
Molecular Formula
575.60
Molecular Weight
g/mol
575.0021
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
321
TPSA
May have limited oral absorption
4
H-Bond Donors
15
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
cefotetan69712-56-7CefotetanumApacefC17H17N7O8S4Cefotetanum [INN-Latin]ICI 156,834DTXSID1022762(6R,7S)-7-[[[4-(2-Amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic AcidICI-15683448SPP0PA9QMLS002153829Ici-156,834MFCD00864983NSC-760045
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to cefotetan
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