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CHEBI:31379 - cefroxadine

ChEBI IDCHEBI:31379
ChEBI Namecefroxadine
Stars
DefinitionA first-generation cephalosporin antibiotic having methoxy and [(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino side groups located at positions 3 and 7 respectively.
Last Modified14 March 2018
DownloadsMolfile
FormulaC16H19N3O5S
Net Charge0
Average Mass365.411
Monoisotopic Mass365.10454
SMILES[H][C@]12SCC(OC)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1
InChIInChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
InChIKeyRDMOROXKXONCAL-UEKVPHQBSA-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)
cefroxadine (CHEBI:31379) is a cephalosporin (CHEBI:23066)
IUPAC Name 
7-{[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3-methoxy-3,4-didehydrocepham-4-carboxylic acid
INNs  Source
cefroxadinoChemIDplus
céfroxadineChemIDplus
cefroxadineChemIDplus
cefroxadinumChemIDplus
Synonyms  Source
(6R,7R)-7-{[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidIUPAC
CXDKEGG DRUG
Manual XrefsDatabases
C12979KEGG COMPOUND
D01528KEGG DRUG
557DrugCentral
CefroxadineWikipedia
Registry NumbersSources
Reaxys:8165480Reaxys
CAS:51762-05-1KEGG COMPOUND
Citations