CHEBI:167744 - Trimethoprim impurity c

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trimethoprim impurity c
ChEBI ID CHEBI:167744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18N4O4
Net Charge 0
Average Mass 306.322
Monoisotopic Mass 306.13281
InChI InChI=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
InChIKey ZQRSRBQVQNNQKD-NSHDSACASA-N
SMILES O(C1=C(OC)C=C([C@H](O)C2=C(N=C(N)N=C2)N)C=C1OC)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Trimethoprim impurity c (CHEBI:167744) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(2,4-diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
Manual Xref Database
23218967 ChemSpider
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Registry Number Type Source
29606-06-2 CAS Registry Number ChemIDplus