Phenacetin structure, CAS 62-44-2

Phenacetin

CAS Number62-44-2

SynonymsMFCD00009094; N-(4-ethoxyphenyl)-acetamide; P-PHENACETIN; Achrocidin; p-ethoxyacetanilide; phenacetin; Phenacetine; phenacitin; Codempiral; Acetphenetidin; Contradouleur; Fenacetina; N-(4-Ethoxyphenyl)acetamide; (1E)-N-(4-Ethoxyphenyl)ethanimidic acid; N-acetyl-p-phenetidine; N-(4-ethoxyphenol)acetamide; Aceto-p-phenetidin; EINECS 200-533-0; 4'-ethoxyacetanilide; N-[4-(ethyloxy)phenyl]acetamide; N-Acetyl-para-phenetidine; N-Acetyl-4-ethoxyaniline

Molecular FormulaCH3CONHC6H4OC2H5

Molecular Weight179.22

Purity≥98.0 (HPLC)%

Density1.0±0.1 g/cm3

Boiling Point323.6±44.0 °C at 760 mmHg

Melting Point134-137 °C

Flash Point

Appearancecrystals

EINECS200-533-0

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9016871 Purity: ≥98.0 (HPLC)%
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Quality Control of [ 62-44-2 ] Purity: ≥98.0 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number62-44-2
Catalog No.2A-9016871
Chinese Name非那西丁
SynonymsMFCD00009094; N-(4-ethoxyphenyl)-acetamide; P-PHENACETIN; Achrocidin; p-ethoxyacetanilide; phenacetin; Phenacetine; phenacitin; Codempiral; Acetphenetidin; Contradouleur; Fenacetina; N-(4-Ethoxyphenyl)acetamide; (1E)-N-(4-Ethoxyphenyl)ethanimidic acid; N-acetyl-p-phenetidine; N-(4-ethoxyphenol)acetamide; Aceto-p-phenetidin; EINECS 200-533-0; 4'-ethoxyacetanilide; N-[4-(ethyloxy)phenyl]acetamide; N-Acetyl-para-phenetidine; N-Acetyl-4-ethoxyaniline
Molecular FormulaCH3CONHC6H4OC2H5
Molecular Weight179.22
Purity≥98.0 (HPLC)
Density1.0±0.1 g/cm3
Boiling Point323.6±44.0 °C at 760 mmHg
Melting Point134-137 °C
Appearancecrystals
Water Solubility0.076 g/100 mL
Storage ConditionStore at 2-10°C.
ApplicationPhenacetin is a non-opioid analgesic compound that inhibits the activity of COX-3 and has anti-inflammatory activity.
EINECS200-533-0
HTC2924291000
PubChem ID57652699
MDL NumberMFCD00009094
SMILESCCOc1ccc(NC(C)=O)cc1
InChI1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
InChI KeyCPJSUEIXXCENMM-UHFFFAOYSA-N
Beilstein/REAXYS1869238
NACRES CodeNA.22
UNSPSC12352100
MSDSmsds/16871_1_62_44_2.pdf
BioactivityPhenacetin is a non-opioid analgesic without anti-inflammatory properties, inhibits COX-3 activity.Target: COXPhenacetin is a pain-relieving and fever-reducing drug, Phenacetin was withdrawn from the Canadian market in June 1973 due to concerns regarding nephropathy. the clinical and laboratory data were compatible with "phenacetin nephritis" as described in Europe and Australia and recently in the United States and Canada. This report evaluates the findings in the 23 cases and cautions against the use of phenacetin, particularly in patients with impaired renal function [1]. Phenacetin has been linked to renal papillary necrosis in human beings [2, 3]. Related Catalog Research Areas >> Inflammation/Immunology Target COX-3:102 μM (IC50) References [1]. Chandrasekharan NV, et al. COX-3, a cyclooxygenase-1 variant inhibited by acetaminophen and other analgesic/antipyretic drugs: cloning, structure, and expression. Proc Natl Acad Sci U S A. 2002 Oct 15;99(21):13926-31. [2]. Brix, A.E., Renal papillary necrosis. Toxicol Pathol, 2002. 30(6): p. 672-4. [3]. Dubach, U.C., B. Rosner, and T. Sturmer, An epidemiologic study of abuse of analgesic drugs. Effects of phenacetin and salicylate on mortality and cardiovascular morbidity (1968 to 1987). N Engl J Med, 1991. 324(3): p. 155-60. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 323.6±44.0 °C at 760 mmHg Melting Point 133-136 °C(lit.) Molecular Formula C10H13NO2 Molecular Weight 179.216 Flash Point 149.5±28.4 °C Exact Mass 179.094635 PSA 38.33000 LogP 2.01 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.506 InChIKey CPJSUEIXXCENMM-UHFFFAOYSA-N SMILES CCOc1ccc(NC(C)=O)cc1 Stability Stable. Incompatible with strong oxidizing agents, strong acids. Water Solubility 0.076 g/100 mL
Use ofProperties Articles127 Name phenacetin Synonym More Synonyms Phenacetin Biological Activity Related Catalog Research Areas >> Inflammation/Immunology COX-3:102 μM (IC50) References [2]. Brix, A.E., Renal papillary necrosis. Toxicol Pathol, 2002. 30(6): p. 672-4. [3]. Dubach, U.C., B. Rosner, and T. Sturmer, An epidemiologic study of abuse of analgesic drugs. Effects of phenacetin and salicylate on mortality and cardiovascular morbidity (1968 to 1987). N Engl J Med, 1991. 324(3): p. 155-60. Chemical & Physical Properties Molecular Formula C10H13NO2 Exact Mass 179.094635 PSA 38.33000 Index of Refraction 1.506 InChIKey CPJSUEIXXCENMM-UHFFFAOYSA-N Stability Stable. Incompatible with strong oxidizing agents, strong acids.
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified
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