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Chemical structure of Trimethoprim N-oxide

GC61353

Trimethoprim N-oxide

Also known as 1-hydroxy-2-imino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

Trimethoprim N-oxide (Trimethoprim 1-N-oxide) belongs to human urinary metabolites

ChemicalCAS27653-68-5MW306.32FormulaC14H18N4O4
CAS number
27653-68-5
Molecular weight
306.32
Formula
C14H18N4O4
InChIKey
XAYZHNKZSZREPH-UHFFFAOYSA-N
Catalogue number
GC61353
Brand
GLPBIO
Computed properties PubChem CID 5244071 · XLogP 0.3 · TPSA 113 Ų · H-bond donors 3
XLogP
0.3
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

SMILES COC1=CC(=CC(=C1OC)OC)CC2=CN(C(=N)N=C2N)O

Computed descriptors from PubChem (CID 5244071), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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