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3-Methylflavone-8-carboxylic acid-[d5]

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General Information
Catalog: BLP-012976
CAS: 1189883-79-1
Molecular Formula: C17H7D5O4
Molecular Weight: 285.31

Chemical Structure

Description	3-Methylflavone-8-carboxylic acid-[d5] is the labelled analogue of 3-Methylflavone-8-carboxylic acid, which is the main active metabolite of Flavoxate hydrochloride (FX) in human.
Synonyms	3-Methylflavone-8-carboxylic Acid D5; 3-Methyl-4-oxo-2-(phenyl-d5)-4H-1-benzopyran-8-carboxylic Acid; 8-Carboxy-3-methylflavone-d5
IUPAC Name	3-methyl-4-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)chromene-8-carboxylic acid
Related CAS	3468-01-7 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)O)C)[2H])[2H]
Canonical SMILES	CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3
InChI	InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)/i2D,3D,4D,6D,7D
InChI Key	KMMBBZOSQNLLMN-QRKCWBMQSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White solid
Storage	Store at 2-8°C