CHEBI:131732 - clometocillin

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ChEBI Name clometocillin
Definition A penicillin that is benzylpenicillin in which the phenylacetyl group has been replaced by a (3,4-dichlorophenyl)(methoxy)acetyl group. It is a mixture of epimers at the methoxy-bearing carbon.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kevin
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Formula C17H18Cl2N2O5S
Net Charge 0
Average Mass 433.308
Monoisotopic Mass 432.03135
InChI InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1
SMILES C=1(C(=CC=C(C1)C(C(N[C@]2([C@@]3(N(C2=O)[C@](C(S3)(C)C)(C(O)=O)[H])[H])[H])=O)OC)Cl)Cl
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.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing clometocillin (CHEBI:131732) has role antibacterial drug (CHEBI:36047)
clometocillin (CHEBI:131732) is a dichlorobenzene (CHEBI:23697)
clometocillin (CHEBI:131732) is a penicillin (CHEBI:17334)
clometocillin (CHEBI:131732) is a semisynthetic derivative (CHEBI:72588)
(2S,5R,6R)-6-[2-(3,4-dichlorophenyl)(methoxy)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
INNs Sources
clometocilina WHO MedNet
clometocillin WHO MedNet
clométocilline WHO MedNet
clometocillinum WHO MedNet
Synonyms Sources
3,4-dichloro-α-methoxybenzylpenicillin ChemIDplus
6-(α-methoxy-3,4-dichlorophenylacetamido)penicillanic acid ChEBI
clometacillin ChemIDplus
clomethacillin ChEBI
penicillin 356 ChEBI
Manual Xrefs Databases
699 DrugCentral
Clometocillin Wikipedia
US3007920 Patent
View more database links
Registry Numbers Types Sources
13779003 Reaxys Registry Number Reaxys
1926-49-4 CAS Registry Number KEGG DRUG
1926-49-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14128892 PubMed citation Europe PMC
4218940 PubMed citation Europe PMC
9578165 PubMed citation Europe PMC
Last Modified
22 February 2017