HIT ID: HIT218849458
Cas No:
分子式: C50H56MgN2O10S2
分子量: 941.48
常用名: Saroglitazar oxide-d4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: magnesium(2+) bis((2S)-2-ethoxy-3-(4-{2-[2-(4-methanesulfinylphenyl)-5-methyl-1H-pyrrol-1-yl](1,1,2,2-2H4)ethoxy}phenyl)propanoate)
IUPAC: magnesium(2+) bis((2S)-2-ethoxy-3-(4-{2-[2-(4-methanesulfinylphenyl)-5-methyl-1H-pyrrol-1-yl](1,1,2,2-2H4)ethoxy}phenyl)propanoate)
SMILES: [Mg++].[2H]C([2H])(Oc1ccc(C[C@H](OCC)C([O-])=O)cc1)C([2H])([2H])n1c(C)ccc1-c1ccc(cc1)S(C)=O.[2H]C([2H])(Oc1ccc(C[C@H](OCC)C([O-])=O)cc1)C([2H])([2H])n1c(C)ccc1-c1ccc(cc1)S(C)=O
SMILES: [Mg++].[2H]C([2H])(Oc1ccc(C[C@H](OCC)C([O-])=O)cc1)C([2H])([2H])n1c(C)ccc1-c1ccc(cc1)S(C)=O.[2H]C([2H])(Oc1ccc(C[C@H](OCC)C([O-])=O)cc1)C([2H])([2H])n1c(C)ccc1-c1ccc(cc1)S(C)=O
InChI key: TYWJXCHYMRDUNW-WFLQWVENSA-L
