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Trimethoprim 1-N-oxide

CAT: 1459-CS-O-33931Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-33931Size:1 Each
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Description
Trimethoprim 1-N-oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Trimethoprim. The product is supplied by Clearsynth under CAT No. CS-O-33931. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
27653-68-5
Synonyms
Trimethoprim 1-N-oxide
Molecular Formula
C 14 H 18 N 4 O 4
Molecular Weight
306.32
Additionnal Information
Trimethoprim 1-N-oxide is supplied with detailed characterization data compliant with regulatory guideline. Trimethoprim 1-N-oxide can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Trimethoprim.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

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

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