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CHEBI:45924 - trimethoprim

ChEBI IDCHEBI:45924
ChEBI Nametrimethoprim
Stars
DefinitionAn aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.
Secondary ChEBI IDsCHEBI:9731, CHEBI:45921
Last Modified20 June 2017
DownloadsMolfile

FormulaC14H18N4O3
Net Charge0
Average Mass290.323
Monoisotopic Mass290.13789
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChIInChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKeyIEDVJHCEMCRBQM-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
Synonyms  Source
TrimethoprimKEGG COMPOUND
ProloprimChemIDplus
TrimpexChemIDplus
2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidineNIST Chemistry WebBook
TRIMETHOPRIMPDBeChem
5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamineNIST Chemistry WebBook
Manual XrefsDatabases
C01965KEGG COMPOUND
TOPPDBeChem
D00145KEGG DRUG
TrimethoprimWikipedia
DB00440DrugBank
HMDB0014583HMDB
LSM-5246LINCS
2755DrugCentral
1745VSDB
Registry NumbersSources
Gmelin:808843Gmelin
Beilstein:625127Beilstein
Reaxys:625127Reaxys
CAS:738-70-5KEGG COMPOUND
CAS:738-70-5ChemIDplus
CAS:738-70-5NIST Chemistry WebBook
Citations