Structure & Deep Data of (R)-Nisoldipine (C20H24N2O6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (R)-Nisoldipine molecule contains a total of 53 bond(s). There are 29 non-H bond(s), 12 multiple bond(s), 8 rotatable bond(s), 6 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 2 ester(s) (aliphatic), 1 secondary amine(s) (aliphatic), and 1 nitro group(s) (aromatic). Images of the chemical structure of (R)-Nisoldipine are given below:

The 2D chemical structure image of (R)-Nisoldipine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (R)-Nisoldipine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of (R)-Nisoldipine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (R)-Nisoldipine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (R)-Nisoldipine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (R)-Nisoldipine

  The SMILES string of (R)-Nisoldipine is COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)OCC(C)C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (R)-Nisoldipine.

• Structure Data File (SDF/MOL File) of (R)-Nisoldipine

  The structure data file (SDF/MOL File) of (R)-Nisoldipine is available for download in the SDF page of (R)-Nisoldipine, which provides the information about the atoms, bonds, connectivity and coordinates of (R)-Nisoldipine. The (R)-Nisoldipine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (R)-Nisoldipine

  The molecular formula of (R)-Nisoldipine is available in chemical formula page of (R)-Nisoldipine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (R)-Nisoldipine

  The molecular weight of (R)-Nisoldipine is available in molecular weight page of (R)-Nisoldipine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of (R)-Nisoldipine

  The (R)-Nisoldipine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (R)-Nisoldipine including the various registry numbers, if available:

  • methyl 2-methylpropyl (4R)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • (R)-(-)-methyl 2-methylpropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
  • (-)-methyl 2-methylpropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
  • (-)-(R)-methyl 2-methylpropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
  • (R)-(-)-nisoldipine
  • (-)-(R)-nisoldipine
  • (-)-nisoldipine
  • (R)-Nisoldipine

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(R)-Nisoldipine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (R)-Nisoldipine?
C20H24N2O6
How many atoms and what are the elements included the (R)-Nisoldipine molecule?
52 atom(s) - 24 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the (R)-Nisoldipine structure?
53 bond(s) - 29 non-H bond(s), 12 multiple bond(s), 8 rotatable bond(s), 6 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 2 ester(s) (aliphatic), 1 secondary amine(s) (aliphatic), and 1 nitro group(s) (aromatic)
What’s the (R)-Nisoldipine’s molecular weight?
388.41436 g/mol
What’s the SMILES code of (R)-Nisoldipine?
COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)OCC(C)C)C
What’s the InChI string of (R)-Nisoldipine?
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3/t18-/m1/s1
What’s the InChIKey code of (R)-Nisoldipine?
VKQFCGNPDRICFG-GOSISDBHSA-N

78 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).