Structure & Deep Data of Decloxizine (C21H28N2O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Decloxizine molecule contains a total of 55 bond(s). There are 27 non-H bond(s), 12 multiple bond(s), 8 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 ether(s) (aliphatic). Images of the chemical structure of Decloxizine are given below:

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

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Additional Information for Identifying Decloxizine Molecule

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

  The SMILES string of Decloxizine is OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccccc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Decloxizine.

• Structure Data File (SDF/MOL File) of Decloxizine

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

• Chemical formula of Decloxizine

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

• Molecular weight of Decloxizine

  The molecular weight of Decloxizine is available in molecular weight page of Decloxizine, 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 Decloxizine

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

  • 1-[2-(2-Hydroxyethoxy)ethyl]-4-|A-phenylbenzyldiethylenediamine Dihydrochloride
  • 2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol Hydrochloride
  • 4-(diphenylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperazine
  • A6390
  • MFCD00869150
  • ANW-44685
  • 3083AH
  • 13073-96-6 (di-hydrochloride)
  • UCB-1402
  • 919C49XAYD

  • Rescupal
  • Autokar
  • Decloxazine
  • 1-(Diphenylmethyl)-4-[2-(2-hydroxyethoxy)ethyl]piperazine
  • 2-{2-[4-(diphenylmethyl)piperazinyl]ethoxy}ethan-1-ol
  • 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]ethanol
  • 2-[2-[(4-Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol
  • 2-[2-(4-diphenylmethyl-piperazin-1-yl)-ethoxy]-ethanol
  • 2-(2-(4-diphenylmethyl-piperazin-1-yl)-ethoxy]-ethanol
  • 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol

  • 2-[2-(4-benzhydryl-1-piperazinyl)ethoxy]ethanol
  • Ethanol, 2-(2-(4-(diphenylmethyl)-1-piperazinyl)ethoxy)-
  • Decloxizinum
  • Decloxizina
  • 2-{2-(4-(Diphenylmethyl)-1-piperazinyl)ethoxy}ethanol
  • 2-2-(4-(Diphenylmethyl)-1-piperazinyl)ethoxyethanol
  • 1-Benzhydryl-4-[2-(2-hydroxyethoxy)ethyl]piperazine
  • Ethanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-
  • 1-(Diphenylmethyl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine
  • 2-(2-((4-Diphenylmethyl)-1-piperazinyl)ethoxy)ethanol

  • 2-(2-(4-Benzhydryl-1-piperazinyl)ethoxy)ethanol
  • DecloxizineHydrochloride
  • 1-Benzhydryl-4-(2-(2-hydroxyethoxy)ethyl)piperazine
  • Decloxizina [INN-Spanish]
  • Decloxizinum [INN-Latin]
  • Decloxizine [INN]
  • UCB 1402
  • Hydroxydiethylphenamine
  • 2-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanol
  • 3733-63-9

  • Decloxizine

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Decloxizine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Decloxizine?
C21H28N2O2
How many atoms and what are the elements included the Decloxizine molecule?
53 atom(s) - 28 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Decloxizine structure?
55 bond(s) - 27 non-H bond(s), 12 multiple bond(s), 8 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 ether(s) (aliphatic)
What’s the Decloxizine’s molecular weight?
340.45922 g/mol
What’s the SMILES code of Decloxizine?
OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccccc3
What’s the InChI string of Decloxizine?
InChI=1S/C21H28N2O2/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21,24H,11-18H2
What’s the InChIKey code of Decloxizine?
OXBBIHZWNDPBMQ-UHFFFAOYSA-N

48 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).