Palonidipine
Basic information
- CAS
96515-73-0- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)CN(C)Cc2ccccc2)C1c1cc([N+](=O)[O-])ccc1F- InChIKey
MUNSLZPCNUVWCH-UHFFFAOYSA-N- Molecular formula
- C29H34FN3O6
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.24316397
Names & identifiers
- Preferred name
- Palonidipine
- IUPAC
- 5-O-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl] 3-O-methyl 4-(2-fluoro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Palonidipine
- Molecular formula
- C29H34FN3O6
- Molecular weight
- 539.6
Names & synonyms
Palonidipine96515-73-0Palonidipine [INN]palonidipinoUNII-FMS4X67Q96FMS4X67Q96DTXSID6043836(+-)-3-(Benzylmethylamino)-2,2-dimethylpropyl methyl 4-(2-fluoro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2-FLUORO-5-NITROPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-, 2,2-DIMETHYL-3-(METHYL(PHENYLMETHYL)AMINO)PROPYL METHYL ESTER3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2-FLUORO-5-NITROPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-, 3-(2,2-DIMETHYL-3-(METHYL(PHENYLMETHYL)AMINO)PROPYL) 5-METHYL ESTERpalonidipinumRefChem:169771
Show more names
O3-[2,2-dimethyl-3-[methyl(phenylmethyl)amino]propyl] O5-methyl 4-(2-fluoro-5-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate1,4-Dihydro-4-(2-fluoro-5-nitrophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid 3-[3-(N-benzylmethylamino)-2,2-dimethylpropyl]5-methyl ester3-O-[2,2-dimethyl-3-[methyl(phenylmethyl)amino]propyl] 5-O-methyl 4-(2-fluoro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate1,4-Dihydro-4-(2-fluoro-5-nitrophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid 3-methyl 5-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl] ester3,5-Pyridinedicarboxylic acid, 4-(2-fluoro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-, 3-[2,2-dimethyl-3-[methyl(phenylmethyl)amino]propyl] 5-methyl ester4-(2-fluoro-5-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[3-[benzyl(methyl)amino]-2,2-dimethyl-propyl] ester O5-methyl ester
Database identifiers
- CAS
96515-73-0- PubChem CID
- 119154
- DTXSID
DTXSID6043836- ChEMBL
CHEMBL2104865- UNII
- FMS4X67Q96
- Nikkaji
- J445.525H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 982
Physicochemical properties
- Boiling point
- 619.1 · 619.1±55.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 8.26 · 8.26±0.50(Predicted)
- FDA UNII
- 4 X67Q96 · FMS4X67Q96
Chemistry & industry
Applications
UsesPalonidipine is a calcium antagonist which is potential for the therapy of angina-pectoris and hypertension[1][2][3].
Related reactions
1 records
Compound notes
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