Sagandipine
Basic information
- CAS
126294-30-2- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(CN3CCCCC3)o2)C1c1ccccc1F- InChIKey
BFLVNSZFGLVPLU-UHFFFAOYSA-N- Molecular formula
- C27H31FN2O5
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.22170026
Names & identifiers
- Preferred name
- Sagandipine
- IUPAC
- 3-O-methyl 5-O-[[5-(piperidin-1-ylmethyl)furan-2-yl]methyl] 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Sagandipine
- Molecular formula
- C27H31FN2O5
- Molecular weight
- 482.54
Names & synonyms
Sagandipine126294-30-2Sagandipine [INN]sagandipinoUNII-20O65J0B7220O65J0B72sagandipinumRefChem:1808343-O-methyl 5-O-[[5-(piperidin-1-ylmethyl)furan-2-yl]methyl] 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateSCHEMBL1231381CHEMBL2107491DTXSID50925496
Show more names
3,5-Pyridinedicarboxylic acid, 4-(2-fluorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-[[5-(1-piperidinylmethyl)-2-furanyl]methyl] ester
NS00123641Q27253477Methyl (5-piperidinomethyl)furfuryl 4-(o-fluorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylateMethyl (5-piperidinomethyl)furfuryl 4-(o-fluorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate.Methyl {5-[(piperidin-1-yl)methyl]furan-2-yl}methyl 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
126294-30-2- PubChem CID
- 3058740
- DTXSID
DTXSID50925496- ChEMBL
CHEMBL2107491- UNII
- 20O65J0B72
- Nikkaji
- J561.871A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 851
Physicochemical properties
- Boiling point
- 567.5 · 567.5±50.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 8.7 · 8.70±0.10(Predicted)
- FDA UNII
- 20 O65J0B72 · 20O65J0B72
Chemistry & industry
Applications
UsesSagandipine is an antihypertensive agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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