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Dehydro Nifedipine-[d6]

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General Information
Catalog: BLP-013025
CAS: 125464-52-0
Molecular Formula: C17H10D6N2O6
Molecular Weight: 350.36

Chemical Structure

Description	Dehydro Nifedipine-[d6] is the labelled analogue of Dehydro Nifedipine, which is a metabolite of Nifedipine. Nifedipine is a dihydropyridine calcium channel blocker that primarily blocks L-type calcium channels.
Synonyms	Dehydro Nifedipine D6; 2,6-Dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3,5-Di(methyl-d3) Ester; Dimethyl 2,6-Dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate-d6
IUPAC Name	bis(trideuteriomethyl) 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
Related CAS	67035-22-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC([2H])([2H])[2H])C)C
Canonical SMILES	CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI	InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3/i3D3,4D3
InChI Key	UMQHJQGNGLQJPF-LIJFRPJRSA-N
Melting Point	103-105°C
Purity	97%; ≥99% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Yellow Solid
Storage	Store at -20°C