| CAS Number | 887769-34-8 |
| Catalog Number | AG00GW2M(AGN-PC-0WBNC7) |
| Chemical Name | Dehydro Lercanidipine |
| IUPAC Name | 3-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
| InChI | InChI=1S/C36H39N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30H,20-21,23H2,1-6H3 |
| InChI Key | JIWNIVBUTXSUBK-UHFFFAOYSA-N |
| MDL Number | MFCD31543894 |
| Molecular Formula | C36H39N3O6 |
| Molecular Weight | 609.7114 |
| SMILES | COC(=O)c1c(C)nc(C)c(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c3ccccc3)c1c4cccc(c4)[N+](=O)[O-] |
| Synonyms | 887769-34-8,
Dehydro lercanidipine,
STL450927,
Lercanidipine Impurity D HCl (Dehydro Lercanidipine HCl),
(freebase)Lercanidipine Impurity D HCl (Dehydro Lercanidipine HCl),
1,1-Dimethyl-2-[N-(3,3-diphenylpropyl)-N-methylamino]ethyl Methyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate,
1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate,
3-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate,
Lercanidipine Impurity-3,
CS-O-13292,
CS-O-31096,
|
| Complexity | 954 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 609.284g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 609.723g/mol |
| Monoisotopic Mass | 609.284g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number