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Acetaminophen-d3 , CAS No.60902-28-5

COA

Grade & Purity:

≥98%(CP),≥98 atom% D

Cas Number: 60902-28-5
Molecular Weight: 154.18
PubChem CID: 12205927

In stock

Item Number

A757963

Grouped product items
SKU	Size	Availability	Price
A757963-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
A757963-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$332.90
A757963-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,163.90

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Basic Description

Synonyms	Paracetamol-d3 \| 4-Acetamidophenol-d3 \| 4'-Hydroxyacetanilide-d3
Specifications & Purity	≥98%(CP),≥98 atom% D
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product 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 Acetaminophen is a potent hepatic N-acetyltransferase 2 (NAT2) inhibitor.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Acetanilides
Alternative Parents	N-acetylarylamines 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acetanilide - N-acetylarylamine - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,2,2-trideuterio-N-(4-hydroxyphenyl)acetamide
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
Smiles	CC(=O)NC1=CC=C(C=C1)O
Isomeric SMILES	[2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)O
WGK Germany	3
Alternate CAS	103-90-2（unlabelled）
Molecular Weight	154.18
Reaxy-Rn	2208089
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208089&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2511550	Certificate of Analysis	Apr 19, 2025	A757963
F2511551	Certificate of Analysis	Apr 19, 2025	A757963
F2511552	Certificate of Analysis	Apr 19, 2025	A757963
F2511553	Certificate of Analysis	Apr 19, 2025	A757963
F2511554	Certificate of Analysis	Apr 19, 2025	A757963
F2511567	Certificate of Analysis	Apr 19, 2025	A757963

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Molecular Weight	154.180 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	154.082 Da
Monoisotopic Mass	154.082 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139.000
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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