Basic information
- CAS
120054-86-6- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1- InChIKey
SVJMLYUFVDMUHP-MGBGTMOVSA-N- Molecular formula
- C36H39N3O6
- Average molar mass
- 609.7 g/mol
- Monoisotopic mass
- 609.28388597
Overview
(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester is a diarylmethane.
Names & identifiers
- Preferred name
- (+)-Niguldipine
- IUPAC
- 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Dexniguldipine
- Molecular formula
- C36H39N3O6
- Molecular weight
- 609.71
Names & synonyms
Dexniguldipine(R)-niguldipine120054-86-6(+)-NIGULDIPINEDexniguldipinoN9DG6ZTC43DTXSID70152666dexniguldipinumDexniguldipine.HClO3-(3-(4,4-di(phenyl)piperidin-1-yl)propyl) O5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateO3-[3-[4,4-di(phenyl)piperidin-1-yl]propyl] O5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:905476
Show more names
(R)-Dexniguldipine(4R)-2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid 3-methyl 5-[3-(4,4-diphenylpiperidino)propyl] ester(R)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-[3-(4,4-diphenylpiperidin-1-yl)propyl]-5-methyl ester3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[3-(4,4-diphenyl-1-piperidinyl)propyl] 5-methyl ester, (4R)-
DTXCID90820572B859 35((-)-3-Methyl-5-3-(4,4-diphenyl-l-piperidinyl)-propyl-l,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate-hydrochloride)1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid, 3-(4,4-Diphenyl-1-piperidinyl)propyl Methyl Ester, Monohydrochloride (R)-3-(3-(4,4-diphenylpiperidin-1-yl)propyl) 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate(R)-Nigaldipine HydrochlorideDexniguldipine [INN]5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 9 DG6ZTC43 · N9DG6ZTC43
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Suppliers2 total
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester is a diarylmethane.
Related reactions
1 records
Compound notes
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