Structure & Deep Data of Meta-Fexofenadine (C32H39NO4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The meta-Fexofenadine molecule contains a total of 79 bond(s). There are 40 non-H bond(s), 19 multiple bond(s), 10 rotatable bond(s), 1 double bond(s), 18 aromatic bond(s), 4 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 3 hydroxyl group(s), 1 secondary alcohol(s), and 1 tertiary alcohol(s). Images of the chemical structure of meta-Fexofenadine are given below:

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

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Additional Information for Identifying Meta-Fexofenadine Molecule

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

  The SMILES string of meta-Fexofenadine is CC(C)(C(O)=O)c1cccc(c1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the meta-Fexofenadine.

• Structure Data File (SDF/MOL File) of meta-Fexofenadine

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

• Chemical formula of meta-Fexofenadine

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

• Molecular weight of meta-Fexofenadine

  The molecular weight of meta-Fexofenadine is available in molecular weight page of meta-Fexofenadine, 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 meta-Fexofenadine

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

  • 3-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-|A,|A-dimethylbenzeneacetic Acid
  • 2-[3-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid
  • 2-(3-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid
  • meta-Fexofenadine
  • 479035-75-1

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Meta-Fexofenadine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of meta-Fexofenadine?
C32H39NO4
How many atoms and what are the elements included the meta-Fexofenadine molecule?
76 atom(s) - 39 Hydrogen atom(s), 32 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the meta-Fexofenadine structure?
79 bond(s) - 40 non-H bond(s), 19 multiple bond(s), 10 rotatable bond(s), 1 double bond(s), 18 aromatic bond(s), 4 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 3 hydroxyl group(s), 1 secondary alcohol(s), and 1 tertiary alcohol(s)
What’s the meta-Fexofenadine’s molecular weight?
501.65636 g/mol
What’s the SMILES code of meta-Fexofenadine?
CC(C)(C(O)=O)c1cccc(c1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
What’s the InChI string of meta-Fexofenadine?
InChI=1S/C32H39NO4/c1-31(2,30(35)36)28-16-9-11-24(23-28)29(34)17-10-20-33-21-18-27(19-22-33)32(37,25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-9,11-16,23,27,29,34,37H,10,17-22H2,1-2H3,(H,35,36)
What’s the InChIKey code of meta-Fexofenadine?
RYHUKJMCYGRCSM-UHFFFAOYSA-N

20 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).