Elgodipine
3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C29H33FN2O6 |
|---|---|
| Molecular Weight | 524.6 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 86.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 524.23224 |
| Heavy Atoms | 38 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 119413-55-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C(=CC=C2)OCO3)C(=O)OCCN(C)CC4=CC=C(C=C4)F |
| InChIKey | ZGRIPYHIFXGCHR-UHFFFAOYSA-N |
📖 Product Overview
Elgodipine (CAS: 119413-55-7) is a chemical compound with molecular formula C29H33FN2O6 and molecular weight 524.6 g/mol. Its IUPAC systematic name is 3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
ZGRIPYHIFXGCHR-UHFFFAOYSA-N.
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C(=CC=C2)OCO3)C(=O)OCCN(C)CC4=CC=C(C=C4)F.
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