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Ibuprofen-[U-Ring-13C6]

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General Information
Catalog: BLP-001561
CAS: 1216459-54-9
Molecular Formula: C7[13C]6H18O2
Molecular Weight: 212.28

Chemical Structure

Description	Ibuprofen-[U-Ring-13C6] is an isotope form of Ibuprofen. Ibuprofen is an inhibitor of COX-1 and COX-2 with IC50 of 13 μM and 370 μM, respectively.
Synonyms	Ibuprofen-13C6; CTK8G0259
IUPAC Name	2-[4-(2-methylpropyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]propanoic acid
Related CAS	15687-27-1 (unlabelled)
Canonical SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChI	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4+1,5+1,6+1,7+1,11+1,12+1
InChI Key	HEFNNWSXXWATRW-HNHUTNRMSA-N
Melting Point	69-72°C
Purity	98%; 99% atom 13C
Appearance	White solid
Storage	-20°C