CHEBI:3478 - cefaclor

ChEBI IDCHEBI:3478
ChEBI Namecefaclor
Stars
DefinitionA cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
Secondary ChEBI IDCHEBI:472656
Last Modified9 February 2018
DownloadsMolfile
FormulaC15H14ClN3O4S
Net Charge0
Average Mass367.814
Monoisotopic Mass367.03935
SMILES[H][C@]12SCC(Cl)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
InChIKeyQYIYFLOTGYLRGG-GPCCPHFNSA-N
Wikipedia
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
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:
drug allergen  Any drug which causes the onset of an allergic reaction.
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)
cefaclor (CHEBI:3478) has role antibacterial drug (CHEBI:36047)
cefaclor (CHEBI:3478) has role drug allergen (CHEBI:88188)
cefaclor (CHEBI:3478) is a cephalosporin (CHEBI:23066)
IUPAC Names 
(6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7β-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid
INN  Source
cefaclorumDrugBank
Synonyms  Source
CefaclorKEGG COMPOUND
cefaclorChEMBL
Cefaclor anhydrousChemIDplus
CCLKEGG DRUG
3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acidChemIDplus
CephaclorChemIDplus
Manual XrefsDatabases
C06877KEGG COMPOUND
D00256KEGG DRUG
DB00833DrugBank
DE2408698Patent
US3925372Patent
CefaclorWikipedia
HMDB0014971HMDB
LSM-5368LINCS
525DrugCentral
Registry NumbersSources
Reaxys:3632473Reaxys
CAS:53994-73-3KEGG COMPOUND
CAS:53994-73-3ChemIDplus
CAS:53994-73-3KEGG DRUG
CAS:53994-73-3DrugBank
Citations