Structure & Deep Data of Ketotifen N-Oxide (C19H19NO2S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Ketotifen N-Oxide molecule contains a total of 45 bond(s). There are 26 non-H bond(s), 13 multiple bond(s), 2 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 seven-membered ring(s), 1 ten-membered ring(s), 1 eleven-membered ring(s), 1 ketone(s) (aromatic), 1 positively charged N, 1 quaternary N, and 1 Thiophene(s). Images of the chemical structure of Ketotifen N-Oxide are given below:

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

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Additional Information for Identifying Ketotifen N-Oxide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Ketotifen N-Oxide

  The SMILES string of Ketotifen N-Oxide is C[N+]1([O-])CCC(CC1)=C3c2ccccc2CC(=O)c4sccc34, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Ketotifen N-Oxide.

• Structure Data File (SDF/MOL File) of Ketotifen N-Oxide

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

• Chemical formula of Ketotifen N-Oxide

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

• Molecular weight of Ketotifen N-Oxide

  The molecular weight of Ketotifen N-Oxide is available in molecular weight page of Ketotifen N-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 Ketotifen N-Oxide

  The Ketotifen N-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 Ketotifen N-Oxide including the various registry numbers, if available:

  • 4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one N-Oxide
  • 4,9-Dihydro-4-(1-methyl-1-oxido-4-piperidinylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
  • 1-METHYL-4-{8-OXO-6-THIATRICYCLO[8.4.0.0(3),?]TETRADECA-1(14),3(7),4,10,12-PENTAEN-2-YLIDENE}PIPERIDIN-1-IUM-1-OLATE
  • 88456-70-6
  • Ketotifen N-Oxide

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Ketotifen N-Oxide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Ketotifen N-Oxide?
C19H19NO2S
How many atoms and what are the elements included the Ketotifen N-Oxide molecule?
42 atom(s) - 19 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Ketotifen N-Oxide structure?
45 bond(s) - 26 non-H bond(s), 13 multiple bond(s), 2 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 seven-membered ring(s), 1 ten-membered ring(s), 1 eleven-membered ring(s), 1 ketone(s) (aromatic), 1 positively charged N, 1 quaternary N, and 1 Thiophene(s)
What’s the Ketotifen N-Oxide’s molecular weight?
325.42466 g/mol
What’s the SMILES code of Ketotifen N-Oxide?
C[N+]1([O-])CCC(CC1)=C3c2ccccc2CC(=O)c4sccc34
What’s the InChI string of Ketotifen N-Oxide?
InChI=1S/C19H19NO2S/c1-20(22)9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-23-19/h2-5,8,11H,6-7,9-10,12H2,1H3/b18-13-
What’s the InChIKey code of Ketotifen N-Oxide?
FDAHLWKMNJCURA-AQTBWJFISA-N

33 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).