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CHEBI:131732 - clometocillin

ChEBI IDCHEBI:131732
ChEBI Nameclometocillin
Stars
DefinitionA penicillin that is benzylpenicillin in which the phenylacetyl group has been replaced by a (3,4-dichlorophenyl)(methoxy)acetyl group.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.
Last Modified22 February 2017
SubmitterKevin
DownloadsMolfile
FormulaC17H18Cl2N2O5S
Net Charge0
Average Mass433.313
Monoisotopic Mass432.03135
SMILES[H][C@]12SC(C)(C)[C@]([H])(C(=O)O)N1C(=O)[C@@]2([H])NC(=O)C(OC)c1ccc(Cl)c(Cl)c1
InChIInChI=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
InChIKeyJKXQBIZCQJLVOS-GSNLGQFWSA-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)
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  Source
clometocillinumWHO MedNet
clometocilinaWHO MedNet
clometocillinWHO MedNet
clométocillineWHO MedNet
Synonyms  Source
3,4-dichloro-α-methoxybenzylpenicillinChemIDplus
clometacillinChemIDplus
clomethacillinChEBI
penicillin 356ChEBI
6-(α-methoxy-3,4-dichlorophenylacetamido)penicillanic acidChEBI
Manual XrefsDatabases
D07236KEGG DRUG
ClometocillinWikipedia
US3007920Patent
699DrugCentral
Registry NumbersSources
Reaxys:13779003Reaxys
CAS:1926-49-4KEGG DRUG
CAS:1926-49-4ChemIDplus
Citations