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Chemical structure of Trimethoprim 3-oxide

GC37830

Trimethoprim 3-oxide

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

Trimethoprim 3-oxide (Trimethoprim 3-N-oxide) is the primary metabolite of trimethoprim

ChemicalCAS27653-67-4MW306.32FormulaC14H18N4O4
CAS number
27653-67-4
Molecular weight
306.32
Formula
C14H18N4O4
Solubility
Soluble in DMSO
InChIKey
YQVPBGLBUGARPD-UHFFFAOYSA-N
Catalogue number
GC37830
Brand
GLPBIO
Computed properties PubChem CID 23278278 · XLogP 0.4 · TPSA 113 Ų · H-bond donors 3
XLogP
0.4
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

SMILES COC1=CC(=CC(=C1OC)OC)CC2=C(N(C(=N)N=C2)O)N

Computed descriptors from PubChem (CID 23278278), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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