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Nifedipine-[13C8]

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Nifedipine-[13C8]

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General Information
Catalog: BLP-001090
CAS: 1173023-46-5
Molecular Formula: C9[13C]8H18N2O6
Molecular Weight: 354.28

Chemical Structure

Description	Nifedipine-[13C8] is labelled Nifedipine which is used as an antihypertensive and antianginal, and is also a dihydorpyridine calcium channel blocker.
Synonyms	1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine-2,3,5,6-13C4-dicarboxylic-13C2 acid dimethyl ester
IUPAC Name	dimethyl 2,6-di((1-13C)methyl)-4-(2-nitrophenyl)-(2,3,5,6-13C4)1,4-dihydropyridine-3,5-dicarboxylate
Related CAS	21829-25-4 (unlabelled)
Isomeric SMILES	CO[13C](=O)[13C]1=[13C](N[13C](=[13C](C1C2=CC=CC=C2[N+](=O)[O-])[13C](=O)OC)[13CH3])[13CH3]
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/C17H18N2O6/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/h5-8,15,18H,1-4H3/i1+1,2+1,9+1,10+1,13+1,14+1,16+1,17+1
InChI Key	HYIMSNHJOBLJNT-UERCFELYSA-N
Melting Point	172-174 °C (lit.)
Purity	99% atom 13C
Appearance	Yellow solid