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CHEBI:351351 - 6-chlorotrimethoprim

ChEBI IDCHEBI:351351
ChEBI Name6-chlorotrimethoprim
Stars
DefinitionAn aminopyrimidine, the structure of which is that of trimethoprim (pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge) carrying a 6-chloro substituent.
Last Modified22 December 2015
DownloadsMolfile
FormulaC14H17ClN4O3
Net Charge0
Average Mass324.768
Monoisotopic Mass324.09892
SMILESCOc1cc(Cc2c(N)nc(N)nc2Cl)cc(OC)c1OC
InChIInChI=1S/C14H17ClN4O3/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)18-14(17)19-13(8)16/h5-6H,4H2,1-3H3,(H4,16,17,18,19)
InChIKeyHGDSWAFBFCKSIU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
6-chlorotrimethoprim (CHEBI:351351) has functional parent trimethoprim (CHEBI:45924)
6-chlorotrimethoprim (CHEBI:351351) is a aminopyrimidine (CHEBI:38338)
6-chlorotrimethoprim (CHEBI:351351) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
6-chloro-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
Synonyms  Source
6-chloro trimethoprimChEBI
6-chloro-TMPChEBI
Registry NumbersSources
Reaxys:762093Reaxys
Citations