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| | Phenacetin-ethoxy-1-13C Basic information |
| Product Name: | Phenacetin-ethoxy-1-13C | | Synonyms: | P-ACETOPHENETIDIDE-ETHOXY-1-13C;N-[4-ETHOXYPHENYL]ACETAMIDE (ETHOXY-1-13C);ACETOPHENETIDIN (ETHOXY-1-13C);PHENACETIN-ETHOXY-1-13C, 98 ATOM % 13C;n-(4-ethoxy-1-13c-phenyl)acetamide;phenacetin-13c1(ethoxy-1-13c);N-(4-Ethoxy-1-13C-phenyl)acetamide, p-Acetophenetidide-ethoxy-1-13C;Phenacetin- oxethyl-1-13C | | CAS: | 72156-72-0 | | MF: | C10H13NO2 | | MW: | 180.22 | | EINECS: | | | Product Categories: | | | Mol File: | 72156-72-0.mol |  |
| | Phenacetin-ethoxy-1-13C Chemical Properties |
| Melting point | 134-136 °C(lit.) | | form | solid | | InChI | 1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)/i3+1 | | InChIKey | CPJSUEIXXCENMM-LBPDFUHNSA-N | | SMILES | C[13CH2]Oc1ccc(NC(C)=O)cc1 | | CAS Number Unlabeled | 62-44-2 |
| Hazard Codes | T | | Risk Statements | 45-46-20/21/22-22 | | Safety Statements | 53-22-36/37/39-45 | | WGK Germany | 3 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | Phenacetin-ethoxy-1-13C Usage And Synthesis |
| Uses | Phenacetin-13C is the 13C labeled Phenacetin[1]. Phenacetin (Acetophenetidin) is a non-opioid analgesic/antipyretic agent. Phenacetin is a selective COX-3 inhibitor. Phenacetin is used as probe of cytochrome P450 enzymes CYP1A2 in human liver microsomes and in rats[2][3][4]. | | References | [1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
[2] 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. DOI:10.1073/pnas.162468699
[3] Xiao-Meng He, et al. Effects of long-term smoking on the activity and mRNA expression of CYP isozymes in rats. J Thorac Dis. 2015 Oct 7(10): 1725–1731. DOI:10.3978/j.issn.2072-1439.2015.10.07
[4] Na Gao, et al. Inhibition of Baicalin on Metabolism of Phenacetin, a Probe of CYP1A2, in Human Liver Microsomes and in Rats. PLoS One. 2014 9(2): e89752. DOI:10.1371/journal.pone.0089752 |
| | Phenacetin-ethoxy-1-13C Preparation Products And Raw materials |
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