HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(+/-)-Niguldipine
Dnig · B 844-39 · B8509-035 · Niguldipine Free Base · 3-Methyl-5-(3-(4,4-diphenyl-1-piperidinyl)propyl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate · 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate · 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(4,4-diphenyl-1-piperidinyl)propyl methyl ester · 3-((4,4-Diphenyl-1-piperidinyl)propyl)-5-methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate hydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 102993-22-6 |
|---|---|
| Summenformel | C36H39N3O6 |
| Durchschnittliche Molmasse | 609,7 g/mol |
| Monoisotopische Masse | 609,28388597 g/mol |
| SMILES | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 |
| InChIKey | SVJMLYUFVDMUHP-UHFFFAOYSA-N |
| PubChem CID | 1236 |
| ChEMBL | CHEMBL1275655 |
| ChEBI | CHEBI:7572 |
| DTXSID | DTXSID7048407 |
Chemische & physikalische Eigenschaften
| XLogP | 6,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 114 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 45 |
| Formalladung | 0 |
| Komplexität | 1.100 |
| Siedepunkt | 729.5±60.0 °C(Predicted) |
| Dichte | 1.205±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 8.45±0.10(Predicted) |