CHEBI:34617 - cefotetan disodium

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ChEBI Name cefotetan disodium
ChEBI ID CHEBI:34617
Definition The disodium salt of cefotetan.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H15N7Na2O8S4
Net Charge 0
Average Mass 619.58300
Monoisotopic Mass 618.96603
InChI InChI=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
InChIKey ZQQALMSFFARWPK-GLHLDKNHSA-L
SMILES [Na+].[Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C([O-])=O)OC)C([O-])=O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing 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 Sources
Cefotetan disodium KEGG COMPOUND
Cefotetan sodium KEGG COMPOUND
Manual Xref Database
D02228 KEGG DRUG
View more database links
Registry Numbers Types Sources
5716628 Beilstein Registry Number Beilstein
74356-00-6 CAS Registry Number ChemIDplus
Last Modified
06 May 2010