Structure & Deep Data of Cis Lacidipine (C26H33NO6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The cis Lacidipine molecule contains a total of 67 bond(s). There are 34 non-H bond(s), 12 multiple bond(s), 11 rotatable bond(s), 6 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 3 ester(s) (aliphatic), and 1 secondary amine(s) (aliphatic). Images of the chemical structure of cis Lacidipine are given below:

The 2D chemical structure image of cis Lacidipine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of cis Lacidipine 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 cis Lacidipine 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 cis Lacidipine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Cis Lacidipine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of cis Lacidipine

  The SMILES string of cis Lacidipine is CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2C=CC(=O)OC(C)(C)C)C(=O)OCC)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the cis Lacidipine.

• Structure Data File (SDF/MOL File) of cis Lacidipine

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

• Chemical formula of cis Lacidipine

  The molecular formula of cis Lacidipine is available in chemical formula page of cis Lacidipine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of cis Lacidipine

  The molecular weight of cis Lacidipine is available in molecular weight page of cis Lacidipine, 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 cis Lacidipine

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

  • diethyl 2,6-dimethyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
  • diethyl 4-[2-(3-tert-butoxy-3-oxoprop-1-en-1-yl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • HMS3394F03
  • cis Lacidipine

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Cis Lacidipine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of cis Lacidipine?
C26H33NO6
How many atoms and what are the elements included the cis Lacidipine molecule?
66 atom(s) - 33 Hydrogen atom(s), 26 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the cis Lacidipine structure?
67 bond(s) - 34 non-H bond(s), 12 multiple bond(s), 11 rotatable bond(s), 6 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 3 ester(s) (aliphatic), and 1 secondary amine(s) (aliphatic)
What’s the cis Lacidipine’s molecular weight?
455.54332 g/mol
What’s the SMILES code of cis Lacidipine?
CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2C=CC(=O)OC(C)(C)C)C(=O)OCC)C
What’s the InChI string of cis Lacidipine?
InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3
What’s the InChIKey code of cis Lacidipine?
GKQPCPXONLDCMU-UHFFFAOYSA-N

31 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).