CHEBI:4511 - dicloxacillin

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ChEBI Name dicloxacillin
ChEBI ID CHEBI:4511
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H17Cl2N3O5S
Net Charge 0
Average Mass 470.32600
Monoisotopic Mass 469.02660
InChI InChI=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
InChIKey YFAGHNZHGGCZAX-JKIFEVAISA-N
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via penicillin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing 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 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 Sources
dicloxacilina DrugBank
dicloxacilline DrugBank
dicloxacillinum DrugBank
Synonyms Sources
(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 acid IUPAC
Dicloxacillin KEGG COMPOUND
Manual Xrefs Databases
866 DrugCentral
C06950 KEGG COMPOUND
D02348 KEGG DRUG
DB00485 DrugBank
Dicloxacillin Wikipedia
GB978299 Patent
LSM-5234 LINCS
US3239507 Patent
View more database links
Registry Numbers Types Sources
1233662 Beilstein Registry Number Beilstein
1233662 Reaxys Registry Number Reaxys
3116-76-5 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
26962156 PubMed citation Europe PMC
28721014 PubMed citation Europe PMC
29017833 PubMed citation Europe PMC
29105855 PubMed citation Europe PMC
29253094 PubMed citation Europe PMC
29504695 PubMed citation Europe PMC
Last Modified
15 March 2018