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Acetaminophen-d3

CAT: 0804-HY-66005S1-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-66005S1-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acetaminophen-d3 is the deuterium labeled Acetaminophen. Acetaminophen (Paracetamol) is a selective cyclooxygenase-2 (COX-2) inhibitor with an IC50 of 25.8 μM; is a widely used antipyretic and analgesic agent[1][2][3]. Acetaminophen is a potent hepatic N-acetyltransferase 2 (NAT2) inhibitor[4].
CAS Number
60902-28-5
Product Name Alternative
Paracetamol-d3; 4-Acetamidophenol-d3; 4'-Hydroxyacetanilide-d3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335, H401
Target
COX; Endogenous Metabolite; Histone Acetyltransferase
Type
Isotope-Labeled Compounds
Related Pathways
Epigenetics; Immunology/Inflammation; Metabolic Enzyme/Protease
Field of Research
Cancer; Inflammation/Immunology
Purity
99.0
Solubility
10 mM in DMSO|DMSO : 250mg/mL (ultrasonic) |H2O : 10mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(O)C=C1)C([2H])([2H])[2H]
Molecular Formula
C8H6D3NO2
Molecular Weight
154.18
Precautions
H302, H315, H319, H335, H401
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Hinz, B, et al. Acetaminophen (paracetamol) is a selective cyclooxygenase-2 inhibitor in man. FASEB J, 2008. 22 (2) : p. 383-90.|[3]Miroslav Dinić, et al. Lactobacillus fermentum Postbiotic-induced Autophagy as Potential Approach for Treatment ofAcetaminophen Hepatotoxicity. Front Microbiol. 2017 Apr 6;8:594.|[4]Uchida NS, et al. Hepatoprotective Effect of Citral on Acetaminophen-Induced Liver Toxicity in Mice. Evid Based Complement Alternat Med. 2017;2017:1796209.|[5]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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Acetaminophen-d3
CAS Number60902-28-5
PubChem CID12205927
IUPAC Name2,2,2-trideuterio-N-(4-hydroxyphenyl)acetamide
Molecular FormulaC8H9NO2
Molecular Weight154.18
XLogP0.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
[2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i1D3
InChIKey
RZVAJINKPMORJF-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Acetaminophen-d3
CAS: 60902-28-5
CID: 12205927
Formula: C8H9NO2
MW: 154.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.18
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass154.082158768
Monoisotopic Mass154.082158768
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count3
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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Alternative Products

CatalogName
TRC-A161221-1MGAcetaminophen-d3
CS-P-00340Acetaminophen-d3 Glucuronide
AR-A01165-01Acetaminophen-d3 mercapturate
TRC-M226052-50MG3-Methoxy Acetaminophen-d3
TRC-A161227-1MG4-Acetaminophen-d3 Sulfate
AR-A05361-01N-Nitroso Acetaminophen-d3
AR-A01163-01Acetaminophen-d3 Sulphate Potassium Salt
AR-A05359-01Acetaminophen-d3 Glucuronide Sodium Salt
TRC-A161226-2.5MGAcetaminophen Glutathione-d3 Disodium Salt
sc-2167584-Acetaminophen-d3 Sulfate Potassium Salt

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