CHEBI:4511 - dicloxacillin

ChEBI IDCHEBI:4511
ChEBI Namedicloxacillin
Stars
DefinitionA penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group.
Last Modified15 March 2018
DownloadsMolfile
FormulaC19H17Cl2N3O5S
Net Charge0
Average Mass470.334
Monoisotopic Mass469.02660
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
InChIKeyYFAGHNZHGGCZAX-JKIFEVAISA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antibacterial drug  A drug used to treat or prevent bacterial infections.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
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:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
dicloxacillin (CHEBI:4511) has role antibacterial drug (CHEBI:36047)
dicloxacillin (CHEBI:4511) is a dichlorobenzene (CHEBI:23697)
dicloxacillin (CHEBI:4511) is a penicillin (CHEBI:17334)
dicloxacillin (CHEBI:4511) is conjugate acid of dicloxacillin(1−) (CHEBI:52017)
Incoming Relation(s)
dicloxacillin(1−) (CHEBI:52017) is conjugate base of dicloxacillin (CHEBI:4511)
IUPAC Name 
6β-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3α-carboxylic acid
INNs  Source
dicloxacilinaDrugBank
dicloxacillineDrugBank
dicloxacillinumDrugBank
Synonyms  Source
DicloxacillinKEGG COMPOUND
(2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
Manual XrefsDatabases
C06950KEGG COMPOUND
D02348KEGG DRUG
DB00485DrugBank
GB978299Patent
US3239507Patent
DicloxacillinWikipedia
LSM-5234LINCS
866DrugCentral
Registry NumbersSources
Reaxys:1233662Reaxys
CAS:3116-76-5KEGG COMPOUND
Citations