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CHEBI:34617 - cefotetan disodium

ChEBI IDCHEBI:34617
ChEBI Namecefotetan disodium
Stars
DefinitionThe disodium salt of cefotetan.
Last Modified6 May 2010
DownloadsMolfile
FormulaC17H15N7O8S4.2Na
Net Charge0
Average Mass619.596
Monoisotopic Mass618.96603
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)[O-])N1C(=O)[C@]2(NC(=O)C1SC(=C(C(N)=O)C(=O)[O-])S1)OC.[Na+].[Na+]
InChIInChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1
InChIKeyZQQALMSFFARWPK-GLHLDKNHSA-L
Roles Classification
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
cefotetan disodium (CHEBI:34617) has part cefotetan(2−) (CHEBI:59358)
cefotetan disodium (CHEBI:34617) has role antibacterial drug (CHEBI:36047)
cefotetan disodium (CHEBI:34617) is a organic sodium salt (CHEBI:38700)
IUPAC Names 
disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
disodium 7β-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7α-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate
Synonyms  Source
Cefotetan disodiumKEGG COMPOUND
Cefotetan sodiumKEGG COMPOUND
Manual XrefsDatabases
D02228KEGG DRUG
Registry NumbersSources
Beilstein:5716628Beilstein
CAS:74356-00-6ChemIDplus