CHEBI:76919 - (S)-nisoldipine

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ChEBI Name (S)-nisoldipine ChEBI ID CHEBI:76919 ChEBI ASCII Name (S)-nisoldipine Definition A methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate that has S configuration. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H24N2O6 Net Charge 0 Average Mass 388.41440 Monoisotopic Mass 388.16344 InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3/t18-/m0/s1 InChIKey VKQFCGNPDRICFG-SFHVURJKSA-N SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C ChEBI Ontology Outgoing (S)-nisoldipine (CHEBI:76919) is a methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CHEBI:76917) Incoming nisoldipine (CHEBI:7577) has part (S)-nisoldipine (CHEBI:76919) IUPAC Name methyl 2-methylpropyl (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Synonyms Sources (+)-(S)-methyl 2-methylpropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate ChEBI (+)-(S)-nisoldipine ChEBI (+)-methyl 2-methylpropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate ChEBI (+)-nisoldipine ChEBI (S)-(+)-methyl 2-methylpropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate ChEBI (S)-(+)-nisoldipine ChEBI Citation Type Source 12483453 PubMed citation Europe PMC Last Modified 08 January 2014