compound introduction
All
Chemical Reagents
Biomedicine
Organic raw materials
Inorganic chemical industry
intermediate
Agricultural chemicals
Auxiliaries and catalysts
Fragrances and Flavors
Dyes and Pigments
Daily chemical industry
Lercanidipine
Dangerous GoodsCAS number：100427-26-7 molecular formula：C36H41N3O6
overview
Specs
| Chinese alias | - | ||
| English alias | 2-((3,3-DIPHENYLPROPYL)METHYLAMINO)-1,1-DIMETHYLETHYL METHYL (4RS)-2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE | 3-{1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyri | ||
| CAS number | 100427-26-7 | molecular formula | C36H41N3O6 |
| molecular weight | 611.7 g/mol | Exact mass | ≥98% |
| PSA | 114.000 Ų | logp | 6.900 |
numbering system
| CAS | 100427-26-7 |
| UNII | V7XTJ4R0BH |
| HMDB ID | HMDB0014669 |
| KEGG ID | D08111 |
| ChEBI ID | 135930 |
| Wikidata | Q410492 |
| ChEMBL ID | CHEMBL250270 |
| Wikipedia | Lercanidipine |
| DrugBank ID | DB00528 |
| DrugCentral | 4157 |
| PharmGKB ID | PA164769058 |
| PubChem CID | 65866 |
| Nikkaji Number | J248.074C |
| Pharos Ligand ID | LL3CDGAUT7RF |
| NCI Thesaurus Code | C81687 |
| DSSTox Substance ID | DTXSID2048327 |
| Metabolomics Workbench ID | 42867 |
| European Community (EC) Number | 807-432-6 |
| PubChem Reference Collection SID | 500796294 |
| International Nonproprietary Names (INN) | LERCANIDIPINE |
physicochemical properties
| LogP | 6.4 |
| XLogP3 | 6.9 |
| Complexity | 1090 |
| Exact Mass | 611.29953604 |
| Solubility | 1.56e-04 g/L |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Molecular Weight | 611.7 |
| Monoisotopic Mass | 611.29953604 |
| Isotope Atom Count | 0 |
| Physical Description | Solid |
| Rotatable Bond Count | 13 |
| Collision Cross Section | 249.8 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Topological Polar Surface Area | 114 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Drug Induced Liver Injury：
References: DOI:10.1016/j.drudis.2019.09.022
Hazard Classes and Categories：
Repr. 1B (100%)
Production methods and uses
purpose
Calculated removal (%): 93.8
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
