CHEBI:351351 - 6-chlorotrimethoprim

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ChEBI Name 6-chlorotrimethoprim ChEBI ID CHEBI:351351 Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H17ClN4O3 Net Charge 0 Average Mass 324.76300 Monoisotopic Mass 324.09892 InChI InChI=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) InChIKey HGDSWAFBFCKSIU-UHFFFAOYSA-N SMILES COc1cc(Cc2c(N)nc(N)nc2Cl)cc(OC)c1OC Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 6-chloro trimethoprim ChEBI 6-chloro-TMP ChEBI Registry Numbers Types Sources 762093 Beilstein Registry Number Beilstein 762093 Reaxys Registry Number Reaxys Citations Types Sources 3377143 PubMed citation Europe PMC 3608139 PubMed citation Europe PMC Last Modified 22 December 2015