CHEBI:131732 - clometocillin

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ChEBI Name clometocillin
ChEBI ID CHEBI:131732
Definition A penicillin that is benzylpenicillin in which the phenylacetyl group has been replaced by a (3,4-dichlorophenyl)(methoxy)acetyl group.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 432.031
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
InChIKey JKXQBIZCQJLVOS-GSNLGQFWSA-N
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.
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)
IUPAC Name
(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
D07236 KEGG DRUG
US3007920 Patent
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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