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 469.027
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.
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
Database Links 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 Reaxys Registry Number Reaxys
1233662 Beilstein Registry Number Beilstein
3116-76-5 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
26962156 PubMed citation Europe PMC
Last Modified
22 February 2017