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Benoxaprofen-[13C,d3]

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General Information
Catalog: BLP-003411
CAS: 1329840-53-0
Molecular Formula: C15[13C]H9D3ClNO3
Molecular Weight: 305.74

Chemical Structure

Description	Benoxaprofen-[13C,d3] is a stable isotopic labelled compound of Benoxaprofen which is an anti-inflammatory ophthalmic agent.
Synonyms	2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl](3-13C,3,3,3-D3)propanoic acid; 2-(4-Chlorophenyl)-α-(methyl-13C,d3)-5-benzoxazoleacetic Acid; (RS)-Benoxaprofen-13C,d3; (+/-)-Benoxaprofen-13C,d3; 2-[2-(4-Chlorophenyl)benzoxazol-5-yl]propanoic Acid-13C,d3
IUPAC Name	2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-3,3,3-trideuterio(3-13C)propanoic acid
Related CAS	51234-28-7 (unlabelled)
Isomeric SMILES	[2H][13C]([2H])([2H])C(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
Canonical SMILES	CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
InChI	InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/i1+1D3
InChI Key	MITFXPHMIHQXPI-KQORAOOSSA-N
Melting Point	175-178°C
Purity	> 98%
Solubility	Soluble in Chloroform, DMSO
Appearance	White Solid
Storage	-20°C