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Ciclopirox glucuronide-[d11]

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General Information
Catalog: BLP-011843
CAS: 1279033-13-4
Molecular Formula: C18H14D11NO8
Molecular Weight: 394.46

Chemical Structure

Description	Ciclopirox glucuronide-[d11] is the labelled analogue of Ciclopirox glucuronide, which is a metabolite of Ciclopirox.
Synonyms	Ciclopirox glucuronide D11; 1-[(6-Cyclohexyl-d11-4-methyl-2-oxo-1(2H)-pyridinyl)oxy]-1-deoxy-β-D-glucopyranuronic Acid; Ciclopirox-d11 β-D-Glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-methyl-2-oxo-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-1-yl]oxyoxane-2-carboxylic acid
Related CAS	79419-54-8 (unlabelled)
Canonical SMILES	CC1=CC(=O)N(C(=C1)C2CCCCC2)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI	InChI=1S/C18H25NO8/c1-9-7-11(10-5-3-2-4-6-10)19(12(20)8-9)27-18-15(23)13(21)14(22)16(26-18)17(24)25/h7-8,10,13-16,18,21-23H,2-6H2,1H3,(H,24,25)/t13-,14-,15+,16-,18-/m0/s1/i2D2,3D2,4D2,5D2,6D2,10D
InChI Key	RRBPTSPRUYTJLL-MYZFTKPNSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C