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4-Hydroxyacetophenone oxime

CAT: 0804-HY-135325-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135325-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Hydroxyacetophenone oxime is an impurity of Acetaminophen (Paracetamol) . Acetaminophen is a potent cyclooxygenase-2 (COX-2) and hepatic N-acetyltransferase 2 (NAT2) inhibitor, and used antipyretic and analgesic agent[1][2].
CAS Number
34523-34-7
UNSPSC
12352005
Hazard Statement
H228, H302, H317, H319, H341, H351
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/4-hydroxyacetophenone-oxime.html
Purity
99.96
Solubility
DMSO : ≥ 100 mg/mL
Smiles
C/C(C1=CC=C(O)C=C1)=N\O
Molecular Formula
C8H9NO2
Molecular Weight
151.16
Precautions
H228, H302, H317, H319, H341, H351
References & Citations
[1]Hinz, B, et al. Acetaminophen (paracetamol) is a selective cyclooxygenase-2 inhibitor in man. FASEB J, 2008. 22 (2) : p. 383-90.|[2]Rothen JP, et al. Acetaminophen is an inhibitor of hepatic N-acetyltransferase 2 in vitro and in vivo. Pharmacogenetics. 1998 Dec;8 (6) :553-9.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4'-Hydroxyacetophenone Oxime
CAS Number34523-34-7
PubChem CID96522
IUPAC Name4-(N-hydroxy-C-methylcarbonimidoyl)phenol
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1.5
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
CC(=NO)C1=CC=C(C=C1)O
InChI
InChI=1S/C8H9NO2/c1-6(9-11)7-2-4-8(10)5-3-7/h2-5,10-11H,1H3
InChIKey
BVZSQTRWIYKUSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxyacetophenone Oxime
CAS: 34523-34-7
CID: 96522
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area52.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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H9025-652’-Hydroxyacetophenone Oxime
sc-2140702'-Hydroxyacetophenone Oxime Acetate
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