Dexniguldipine

Base Information

• Chemical Name: Dexniguldipine
• CAS No.: 120054-86-6
• Molecular Formula: C36H39 N3 O6
• Molecular Weight: 609.71
• UNII: N9DG6ZTC43
• DSSTox Substance ID: DTXSID70152666
• Wikipedia: Niguldipine
• Wikidata: Q27077032
• NCI Thesaurus Code: C1465
• Pharos Ligand ID: HDLYMDRVM49X
• Metabolomics Workbench ID: 154773
• ChEMBL ID: CHEMBL2051956
• Mol file: 120054-86-6.mol

Synonyms:3-((4,4-diphenyl-1-piperidinyl)propyl)-5-methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate hydrochloride;3-methyl-5-(3-(4,4-diphenyl-1-piperidinyl)propyl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate;B 844-39;B 859-35;B8509-035;B859-35;dexniguldipine;DNIG;niguldipine;niguldipine fumarate;niguldipine hydrobromide;niguldipine hydrochloride;niguldipine maleate

Chemical Property of Dexniguldipine

Chemical Property:

• Vapor Pressure: 3.9E-21mmHg at 25°C
• Boiling Point: 729.5°Cat760mmHg
• Flash Point: 395°C
• PSA: 113.69000
• Density: 1.205g/cm³
• LogP: 6.80790
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 609.28388597
• Heavy Atom Count: 45
• Complexity: 1100

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC
• Isomeric SMILES: CC1=C([C@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC

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