Cronidipine
Basic information
- CAS
113759-50-5- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2COC3(CCN(c4ccc(Cl)cc4)CC3)O2)C1c1cccc([N+](=O)[O-])c1- InChIKey
CNIJVNPIIHWRRP-UHFFFAOYSA-N- Molecular formula
- C30H32ClN3O8
- Average molar mass
- 598 g/mol
- Monoisotopic mass
- 597.1877927
Overview
Cronidipine is a calcium channel blocker.
Names & identifiers
- Preferred name
- Cronidipine
- IUPAC
- 5-O-[[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Cronidipine
- Molecular formula
- C30H32ClN3O8
- Molecular weight
- 598.04
Names & synonyms
Cronidipine113759-50-5CronidipinoCronidipine [INN]CronidipinumCronidipinum [INN-Latin]UNII-7TXJ9MY5V9Cronidipino [INN-Spanish]7TXJ9MY5V9LF 2-0254(8-(p-Chlorophenyl)-1,4-dioxa-8-azaspiro(4,5)dec-2-yl)methyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylateCronidipinum (INN-Latin)
Show more names
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]methyl 5-methyl ester
Cronidipino (INN-Spanish)3-[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]methyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3-(8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro(4.5)decan-2-yl)methyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1285205-O-[[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate(8-aza-8-(4-chlorophenyl)-1,4-dioxaspiro-4,5-decan-2-yl)methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]dec-2-yl]methyl] 5-methyl esterLF-2-0254
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Melting point
- 75 · 75-80 °C
- Boiling point
- 750.9 · 750.9±60.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.60(Predicted)
- FDA UNII
- 7 TXJ9MY5V9 · 7TXJ9MY5V9
Chemistry & industry
Applications
UsesAnti-asthmatic (prophylactic).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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