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CHEBI:3493 - cefoperazone

ChEBI IDCHEBI:3493
ChEBI Namecefoperazone
Stars
DefinitionA semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance.
Secondary ChEBI IDCHEBI:258120
Last Modified18 July 2017
DownloadsMolfile
FormulaC25H27N9O8S2
Net Charge0
Average Mass645.680
Monoisotopic Mass645.14240
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)O)N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccc(O)cc1
InChIInChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
InChIKeyGCFBRXLSHGKWDP-XCGNWRKASA-N
Wikipedia
Roles Classification
Biological Roles:
antibacterial drug  A drug used to treat or prevent bacterial infections.
drug allergen  Any drug which causes the onset of an allergic reaction.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
antibacterial drug  A drug used to treat or prevent bacterial infections.
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
cefoperazone (CHEBI:3493) has role antibacterial drug (CHEBI:36047)
cefoperazone (CHEBI:3493) is a cephalosporin (CHEBI:23066)
IUPAC Names 
(6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7β-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid
INNs  Source
cefoperazoneChemIDplus
cefoperazonoChemIDplus
cefoperazonumChemIDplus
Synonyms  Source
CefoperazoneKEGG COMPOUND
(6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeureChemIDplus
CPZKEGG DRUG
(6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidDrugBank
cefobidChEBI
cefoperazonChEBI
Manual XrefsDatabases
C06883KEGG COMPOUND
D07645KEGG DRUG
DB01329DrugBank
CefoperazoneWikipedia
LSM-15520LINCS
543DrugCentral
1836VSDB
Registry NumbersSources
Reaxys:6050252Reaxys
CAS:62893-19-0KEGG COMPOUND
CAS:62893-19-0ChemIDplus
Citations