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CHEBI:3483 - cefazolin sodium

ChEBI IDCHEBI:3483
ChEBI Namecefazolin sodium
Stars
DefinitionA cephalosporin organic sodium salt having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups.
Last Modified3 August 2014
DownloadsMolfile
FormulaC14H13N8O4S3.Na
Net Charge0
Average Mass476.501
Monoisotopic Mass476.01196
SMILES[H][C@]12SCC(CSc3nnc(C)s3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cn1cnnn1.[Na+]
InChIInChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1
InChIKeyFLKYBGKDCCEQQM-WYUVZMMLSA-M
ChEBI Ontology
Outgoing Relation(s)
cefazolin sodium (CHEBI:3483) has part cefazolin(1−) (CHEBI:53657)
cefazolin sodium (CHEBI:3483) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7β-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylate
Synonyms  Source
Cefazolin sodium saltChEBI
Cefazoline sodiumChemIDplus
Monosodium cefazolinChemIDplus
Sodium cefazolinChemIDplus
Sodium cephazolinChemIDplus
sodium (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC
Manual XrefsDatabases
D00905KEGG DRUG
DB01327DrugBank
Registry NumbersSources
Beilstein:4229326Beilstein
CAS:27164-46-1KEGG DRUG
CAS:27164-46-1ChemIDplus
Citations