Iganidipine
Basic information
- CAS
119687-33-1- Standard SMILES
C=CCN1CCN(CC(C)(C)COC(=O)C2=C(C)NC(C)=C(C(=O)OC)C2c2cccc([N+](=O)[O-])c2)CC1- InChIKey
QBTSPDQKRVMTRU-UHFFFAOYSA-N- Molecular formula
- C28H38N4O6
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.27913494
Overview
Iganidipine is an organic molecular entity.
Names & identifiers
- Preferred name
- Iganidipine
- IUPAC
- 5-O-[2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Iganidipine
- Molecular formula
- C28H38N4O6
- Molecular weight
- 526.63
Names & synonyms
Iganidipine119687-33-1KirenidipineIganidipino9FPE98DLZ53-(4-allyl-1-piperazinyl)-2,2-dimethylpropyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylateiganidipinumRefChem:923306Iganidipine [INN]5-O-[2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateIganidipine, (+)-Iganidipine, (-)-
Show more names
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2,2-dimethyl-3-[4-(2-propen-1-yl)-1-piperazinyl]propyl] 5-methyl ester
RR46DCE78AZU9QD72G5Z3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2,2-dimethyl-3-(4-(2-propenyl)-1-piperazinyl)propyl methyl ester, (+)-3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2,2-dimethyl-3-(4-(2-propenyl)-1-piperazinyl)propyl methyl ester, (-)-3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2,2-dimethyl-3-(4-(2-propen-1-yl)-1-piperazinyl)propyl) 5-methyl ester, (+)-3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2,2-dimethyl-3-(4-(2-propen-1-yl)-1-piperazinyl)propyl) 5-methyl ester, (-)-752171-43-0788791-04-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 974
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 9 FPE98DLZ5 · 9FPE98DLZ5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesIganidipine is a calcium channel blocker optic nerve circulation vasodilator. Its used to blur optic nerve head tissue blood velocity in mammals.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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