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5-[4-[[1-(4-Methylquinolin-2-yl)-(2S)-pyrrolildin-2-yl]methoxy]phenylmethyl]thiazolidin-2,4-dione Maleate
SpectraBase Compound ID 5NYEjYqfDMH
InChI InChI=1S/C25H25N3O3S.C4H4O4/c1-16-13-23(26-21-7-3-2-6-20(16)21)28-12-4-5-18(28)15-31-19-10-8-17(9-11-19)14-22-24(29)27-25(30)32-22;5-3(6)1-2-4(7)8/h2-3,6-11,13,18,22H,4-5,12,14-15H2,1H3,(H,27,29,30);1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,22?;/m0./s1
InChIKey SBFSZCQLLVFAFV-IRZKXQHUSA-N
Mol Weight 563.63 g/mol
Molecular Formula C29H29N3O7S
Exact Mass 563.172621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf4J8ghlquS
Name 5-[4-[[1-(4-Methylquinolin-2-yl)-(2S)-pyrrolildin-2-yl]methoxy]phenylmethyl]thiazolidin-2,4-dione Maleate
Alternate Name(s) (Z)-2-butenedioic acid;5-[[4-[[(2S)-1-(4-methyl-2-quinolinyl)-2-pyrrolidinyl]methoxy]phenyl]methyl]thiazolidine-2,4-dione maleic acid;5-[[4-[[(2S)-1-(4-methyl-2-quinolyl)pyrrolidin-2-yl]methoxy]phenyl]methyl]thiazolidine-2,4-dione (Z)-but-2-enedioic acid;5-[[4-[[(2S)-1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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Formula C29H29N3O7S
InChI InChI=1S/C25H25N3O3S.C4H4O4/c1-16-13-23(26-21-7-3-2-6-20(16)21)28-12-4-5-18(28)15-31-19-10-8-17(9-11-19)14-22-24(29)27-25(30)32-22;5-3(6)1-2-4(7)8/h2-3,6-11,13,18,22H,4-5,12,14-15H2,1H3,(H,27,29,30);1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,22?;/m0./s1
InChIKey SBFSZCQLLVFAFV-IRZKXQHUSA-N
Molecular Weight 563.625 g/mol
SMILES OC(\C=C/C(=O)O)=O.N1C(C(SC1=O)Cc1ccc(OC[C@]2(N(c3nc4c(cccc4)c(c3)C)CCC2)[H])cc1)=O
SPLASH splash10-08fr-0790000000-bd5d628d3762e312ff56
Source of Spectrum F2-42-2579-6
Wiley ID 1600206