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CHEBI:167744 - Trimethoprim impurity c

ChEBI IDCHEBI:167744
ChEBI NameTrimethoprim impurity c
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N4O4
Net Charge0
Average Mass306.322
Monoisotopic Mass306.13281
SMILESCOc1cc([C@H](O)c2cnc(N)nc2N)cc(OC)c1OC
InChIInChI=1S/C14H18N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6,11,19H,1-3H3,(H4,15,16,17,18)/t11-/m0/s1
InChIKeyZQRSRBQVQNNQKD-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Trimethoprim impurity c (CHEBI:167744) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(2,4-diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
Manual XrefsDatabases
23218967ChemSpider
Registry NumbersSources
CAS:29606-06-2ChemIDplus