Palonidipine Hydrochloride
Basic information
- CAS
96515-74-1- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)CN(C)Cc2ccccc2)C1c1cc([N+](=O)[O-])ccc1F.Cl- InChIKey
OQHXRVQARZHYGQ-UHFFFAOYSA-N- Molecular formula
- C29H35ClFN3O6
- Average molar mass
- 576.1 g/mol
- Monoisotopic mass
- 575.2198417
Names & identifiers
- Preferred name
- Palonidipine Hydrochloride
- 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;hydrochloride
- English name
- TC 81
- Molecular formula
- C29H34FN3O6.ClH
- Molecular weight
- 576.062
Names & synonyms
Palonidipine hydrochloridePalonidipine HClCCRIS 8938TC 81DTXSID50210993,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, 2,2-dimethyl-3-(methyl(phenylmethyl)amino)propyl methyl ester, monohydrochloridePALONIDIPINE HYDROCHLORIDE [JAN]RefChem:169772DTXCID40109996515-73-0, Palonidipine3-(N-benzyl-N-methylamino)-2,2-dimethylpropyl methyl-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloridePalonidipine.HCl
Show more names
TC-8196515-74-19D73PQ95UJ3,5-Pyridinedicarboxylic acid, 4-(2-fluoro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-, 2,2-dimethyl-3-(methyl(phenylmethyl)amino)propyl methyl ester, monohydrochloride3,5-Pyridinedicarboxylic acid, 4-(2-fluoro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-, 2,2-dimethyl-3-[methyl(phenylmethyl)amino]propyl methyl ester, monohydrochlorideUNII-9D73PQ95UJSCHEMBL677408orb1741268
Database identifiers
- CAS
96515-74-1- PubChem CID
- 119153
- DTXSID
DTXSID5021099- UNII
- 9D73PQ95UJ
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 982
Physicochemical properties
- FDA UNII
- 9 D73PQ95UJ · 9D73PQ95UJ
Chemistry & industry
Applications
UsesPalonidipine hydrochloride is a calcium antagonist which is potential for the therapy of angina-pectoris and hypertension[1][2][3].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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