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SummaryGeometryRelated PDB entries

225

Summary
Name:FELODIPINE
Synonyms:ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Formula:C18 H19 Cl2 N O4
Formal charge:0
Formula weight:384.254 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
OpenEye OEToolkits1.7.0O5-ethyl O3-methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)C1=C(NC(=C(C(=O)OCC)C1c2cccc(Cl)c2Cl)C)C
SMILES_CANONICALCACTVS3.370CCOC(=O)C1=C(C)NC(=C([C@H]1c2cccc(Cl)c2Cl)C(=O)OC)C
SMILESCACTVS3.370CCOC(=O)C1=C(C)NC(=C([CH]1c2cccc(Cl)c2Cl)C(=O)OC)C
SMILES_CANONICALOpenEye OEToolkits1.7.0CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C
SMILESOpenEye OEToolkits1.7.0CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C
InChIInChI1.03InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/t15-/m1/s1
InChIKeyInChI1.03RZTAMFZIAATZDJ-OAHLLOKOSA-N

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数据于2024-07-17公开中

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