Basic information
- CAS
102993-22-6- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1- InChIKey
SVJMLYUFVDMUHP-UHFFFAOYSA-N- Molecular formula
- C36H39N3O6
- Average molar mass
- 609.7 g/mol
- Monoisotopic mass
- 609.28388597
Overview
Niguldipine is a diarylmethane.
Names & identifiers
- Preferred name
- (+/-)-Niguldipine
- IUPAC
- 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- niguldipine
- Molecular formula
- C36H39N3O6
- Molecular weight
- 609.719
Names & synonyms
102993-22-6DL-Niguldipine(+/-)-NiguldipineNiguldipine Free BaseCHEBI:75725-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateCHEMBL1275655NCGC00163135-013-(3-(4,4-Diphenylpiperidin-1-yl)propyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;3-(3-(4,4-Diphenylpiperidin-1-yl)propyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateNiguldipinum [Latin]Niguldipino [Spanish]UNII-6Q39TPF0GL
Show more names
Dnig3-Methyl-5-(3-(4,4-diphenyl-1-piperidinyl)propyl)-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-(4,4-diphenyl-1-piperidinyl)propyl methyl ester3-((4,4-Diphenyl-1-piperidinyl)propyl)-5-methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate hydrochloride3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[3-(4,4-diphenyl-1-piperidinyl)propyl] 5-methyl ester
B8509-035Niguldipine (free base)O5-[3-(4,4-diphenyl-1-piperidyl)propyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateBSPBio_001395KBioGR_000115KBioSS_000115SCHEMBL245993B 844-39
Database identifiers
- CAS
102993-22-6- PubChem CID
- 1236
- DTXSID
DTXSID7048407- ChEMBL
CHEMBL1275655- ChEBI
CHEBI:7572- UNII
- 6Q39TPF0GL
- Nikkaji
- J484.606K
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Boiling point
- 729.5 · 729.5±60.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 8.45 · 8.45±0.10(Predicted)
- FDA UNII
- 6 Q39TPF0GL · 6Q39TPF0GL
Chemistry & industry
Applications
UsesNiguldipine free base is a calcium channel blocker with activity in regulating cardiovascular function. Niguldipine free base can reduce systolic and diastolic blood pressure, thereby increasing heart rate and cardiac output. Niguldipine free base exhibits dose-dependent and sustained increases in coronary blood flow. Niguldipine free base also increases perfusion in the kidneys and femoral arteries, but the effect is temporary and to a lesser extent. The effect of Niguldipine free base on myocardial metabolism is not significant[1].
Suppliers3 total
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Niguldipine is a diarylmethane.
Related reactions
2 records
Compound notes
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