Structure & Deep Data of Aripiprazole N4-Oxide (C23H27Cl2N3O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Aripiprazole N4-Oxide molecule contains a total of 61 bond(s). There are 34 non-H bond(s), 13 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 positively charged N, 1 quaternary N, and 1 ether(s) (aromatic). Images of the chemical structure of Aripiprazole N4-Oxide are given below:

The 2D chemical structure image of Aripiprazole N4-Oxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Aripiprazole N4-Oxide 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 Aripiprazole N4-Oxide 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 Aripiprazole N4-Oxide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Aripiprazole N4-Oxide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Aripiprazole N4-Oxide

  The SMILES string of Aripiprazole N4-Oxide is [O-][N+]3(CCN(CCCCOc2ccc1CCC(=O)Nc1c2)CC3)c4cccc(Cl)c4Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Aripiprazole N4-Oxide.

• Structure Data File (SDF/MOL File) of Aripiprazole N4-Oxide

  The structure data file (SDF/MOL File) of Aripiprazole N4-Oxide is available for download in the SDF page of Aripiprazole N4-Oxide, which provides the information about the atoms, bonds, connectivity and coordinates of Aripiprazole N4-Oxide. The Aripiprazole N4-Oxide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Aripiprazole N4-Oxide

  The molecular formula of Aripiprazole N4-Oxide is available in chemical formula page of Aripiprazole N4-Oxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Aripiprazole N4-Oxide

  The molecular weight of Aripiprazole N4-Oxide is available in molecular weight page of Aripiprazole N4-Oxide, 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 Aripiprazole N4-Oxide

  The Aripiprazole N4-Oxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Aripiprazole N4-Oxide including the various registry numbers, if available:

  • 7-[4-[4-(2,3-Dichlorophenyl)-4-oxido-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
  • 573691-11-9
  • Aripiprazole N4-Oxide

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Aripiprazole N4-Oxide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Aripiprazole N4-Oxide?
C23H27Cl2N3O3
How many atoms and what are the elements included the Aripiprazole N4-Oxide molecule?
58 atom(s) - 27 Hydrogen atom(s), 23 Carbon atom(s), 3 Nitrogen atom(s), 3 Oxygen atom(s), and 2 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the Aripiprazole N4-Oxide structure?
61 bond(s) - 34 non-H bond(s), 13 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 positively charged N, 1 quaternary N, and 1 ether(s) (aromatic)
What’s the Aripiprazole N4-Oxide’s molecular weight?
464.38478 g/mol
What’s the SMILES code of Aripiprazole N4-Oxide?
[O-][N+]3(CCN(CCCCOc2ccc1CCC(=O)Nc1c2)CC3)c4cccc(Cl)c4Cl
What’s the InChI string of Aripiprazole N4-Oxide?
InChI=1S/C23H27Cl2N3O3/c24-19-4-3-5-21(23(19)25)28(30)13-11-27(12-14-28)10-1-2-15-31-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
What’s the InChIKey code of Aripiprazole N4-Oxide?
FDTVYHFBHZGERN-UHFFFAOYSA-N

24 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).