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CHEBI:3496 - cefoselis

ChEBI IDCHEBI:3496
ChEBI Namecefoselis
Stars
DefinitionA cephalosporin compound having [2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl]methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. A 4th generation broad-spectrum cephalosporin.
Last Modified2 March 2018
DownloadsMolfile
FormulaC19H22N8O6S2
Net Charge0
Average Mass522.569
Monoisotopic Mass522.11037
SMILES[H][C@]12SCC(Cn3ccc(=N)n3CCO)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1
InChIInChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32)/b20-11?,24-12-/t13-,17-/m1/s1
InChIKeyZINFAXPQMLDEEJ-GFVOIPPFSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
Application:
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
cefoselis (CHEBI:3496) is a 1,3-thiazoles (CHEBI:38418)
cefoselis (CHEBI:3496) is a cephalosporin (CHEBI:23066)
cefoselis (CHEBI:3496) is a pyrazoles (CHEBI:26410)
Incoming Relation(s)
cefoselis sulfate (CHEBI:34616) has functional parent cefoselis (CHEBI:3496)
IUPAC Name 
7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl]methyl}-3,4-didehydrocepham-4-carboxylic acid
INNs  Source
céfosélisWHO MedNet
cefoselisumWHO MedNet
cefoselisChemIDplus
cefoselísWHO MedNet
Synonyms  Source
CefoselisKEGG COMPOUND
wincefDrugCentral
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidIUPAC
Manual XrefsDatabases
C11210KEGG COMPOUND
D07646KEGG DRUG
545DrugCentral
CefoselisWikipedia
Registry NumbersSources
CAS:122841-10-5KEGG COMPOUND
CAS:122841-10-5ChemIDplus
Citations