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Acetophenone-[13C6]

General Information
Catalog: BLP-000007
CAS: 125770-94-7
Molecular Formula: C2[13C]6H8O
Molecular Weight: 126.10
Chemical Structure
Acetophenone-[13C6]
Description Acetophenone-[13C6] is an intermediate in synthesizing Ibuprofen-[13C]6, a labelled Ibuprofen. It is a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency.
Synonyms Acetophenone-(ring-13C6)
IUPAC Name 1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethanone
Related CAS 98-86-2 (unlabelled)
InChI InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i2+1,3+1,4+1,5+1,6+1,8+1
InChI Key KWOLFJPFCHCOCG-OLGKHRKTSA-N
Boiling Point 202 °C (lit.)
Melting Point 19-20 °C (lit.)
Purity 99% (CP); 99% atom 13C
Density 1.081 g/mL at 25 °C

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