2-(N-Benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

• CAS: 59875-58-0
• Catalog Number: ACM59875580
• Category: Other Products
• Molecular Weight: 0
• Molecular Formula: C₂₆H₂₈ClN₃O₆
• Synonyms: 2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate;2,6-Dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid Methyl 2-[Methyl(phenylmethyl)amino]ethyl Ester Hydrochloride;Dehydro Nicardipine Hydrochloride;Dehydro Nicardipine (Freebase);Nicardipine USP Pyridine Analog (as dihydrochloride)
• Melting Point: 154-156°C

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C26H27N3O6.

What is the molecular weight of the compound?

The molecular weight of the compound is 477.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-O-[2-[benzyl(methyl)amino]ethyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CC1=C(C(=C(C(=N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C26H27N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15H,13-14,16H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is GROZWIBBDLLXKU-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number of the compound is 59875-58-0.

How many hydrogen bond acceptor counts does the compound have?

The compound has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 115 Å2.

Is the compound canonicalized?

Yes, the compound is canonicalized.