Products for Research Use Only
RegisterLogin

Trimethoprim N-oxide

CAT: 0804-HY-100644-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-100644-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Trimethoprim N-oxide (Trimethoprim 1-N-oxide) belongs to human urinary metabolites. Trimethoprim N-oxide is generated by oxidation of nitrogen atoms in the pyrimidine ring. Trimethoprim N-oxide is formed predominantly by CYP1A2 in human liver microsomes[1].
CAS Number
27653-68-5
Product Name Alternative
Trimethoprim 1-N-oxide
UNSPSC
12352005
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/trimethoprim-n-oxide.html
Solubility
10 mM in DMSO
Smiles
NC1=NC(N)=C(CC2=CC(OC)=C(OC)C(OC)=C2)C=[N+]1[O-]
Molecular Formula
C14H18N4O4
Molecular Weight
306.32
References & Citations
[1]Goldman JL, et al. In Vitro Hepatic Oxidative Biotransformation of Trimethoprim. Drug Metab Dispos. 2015 Sep;43 (9) :1372-80.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-Hydroxy-2-imino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CAS Number27653-68-5
PubChem CID5244071
IUPAC Name1-hydroxy-2-imino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
Molecular FormulaC14H18N4O4
Molecular Weight306.32
XLogP0.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity465
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CN(C(=N)N=C2N)O
InChI
InChI=1S/C14H18N4O4/c1-20-10-5-8(6-11(21-2)12(10)22-3)4-9-7-18(19)14(16)17-13(9)15/h5-7,19H,4H2,1-3H3,(H3,15,16,17)
InChIKey
XAYZHNKZSZREPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-2-imino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CAS: 27653-68-5
CID: 5244071
Formula: C14H18N4O4
MW: 306.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.32
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass306.13280507
Monoisotopic Mass306.13280507
Topological Polar Surface Area113 Ų
Heavy Atom Count22
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-100645-01Trimethoprim 3-oxide
HY-B0510-01Trimethoprim
HY-B0510S2-01Trimethoprim-d3
HY-B0510B-01Trimethoprim (hydrochloride)
HY-B0510S3Trimethoprim-13C3
HY-B0510C-01Trimethoprim (lactate)
HY-B0510ATrimethoprim (sulfate)
HY-B0510S-01Trimethoprim-d9
HY-B0510R-01Trimethoprim (Standard)
HY-W127842-01N, N-Dimethyldecylamine N-oxide

Alternative Products

CatalogName
CBA65368-01Trimethoprim N-oxide
CS-O-33931Trimethoprim 1-N-oxide
TRC-T797545-1MGTrimethoprim 3-N-Oxide
T19593-01Trimethoprim 3-oxide
AR-T03065-01Trimethoprim N3-Oxide
AR-T03064-01Trimethoprim N1-Oxide
A20361-10Trimethoprim 3-oxide 10mg
A20361-1Trimethoprim 3-oxide 1mg
A20361-5Trimethoprim 3-oxide 5mg
TRC-T797547-10MG(4-Trideuteromethoxy) Trimethoprim N3-Oxide

Popular Products