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CHEBI:560555 - cefditoren pivoxil

ChEBI IDCHEBI:560555
ChEBI Namecefditoren pivoxil
Stars
DefinitionThe pivaloyloxymethyl ester prodrug of cefditoren.
Secondary ChEBI IDsCHEBI:31367, CHEBI:606444
Last Modified31 March 2017
DownloadsMolfile
FormulaC25H28N6O7S3
Net Charge0
Average Mass620.735
Monoisotopic Mass620.11816
SMILES[H][C@]12SCC(/C=C\c3scnc3C)=C(C(=O)OCOC(=O)C(C)(C)C)N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1
InChIInChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1
InChIKeyAFZFFLVORLEPPO-UVYJNCLZSA-N
Wikipedia
Roles Classification
Biological Roles:
antibacterial drug  A drug used to treat or prevent bacterial infections.
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.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
cefditoren pivoxil (CHEBI:560555) has functional parent cefditoren (CHEBI:59343)
cefditoren pivoxil (CHEBI:560555) has role antibacterial drug (CHEBI:36047)
cefditoren pivoxil (CHEBI:560555) has role prodrug (CHEBI:50266)
cefditoren pivoxil (CHEBI:560555) is a 1,3-thiazoles (CHEBI:38418)
cefditoren pivoxil (CHEBI:560555) is a cephams (CHEBI:35995)
cefditoren pivoxil (CHEBI:560555) is a oxime O-ether (CHEBI:36816)
cefditoren pivoxil (CHEBI:560555) is a pivaloyloxymethyl ester (CHEBI:136685)
IUPAC Names 
[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
[(2,2-dimethylpropanoyl)oxy]methyl 7β-(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-3,4-didehydrocepham-4-carboxylic acid
Synonyms  Source
Cefditoren pivoxilKEGG COMPOUND
cefditoren pivaloyloxymethyl esterChemIDplus
pivaloyloxymethyl (+)-(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateChEBI
Manual XrefsDatabases
D01628KEGG DRUG
DB01066DrugBank
Cefditoren_PivoxilWikipedia
534DrugCentral
Registry NumbersSources
Beilstein:4902739Beilstein
CAS:117467-28-4KEGG DRUG
CAS:117467-28-4ChemIDplus