Structure of Fexofenadine (C32H39NO4)

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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 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 fexofenadine are given below:

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

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Additional Information for Identifying Fexofenadine Molecule

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

  The SMILES string of fexofenadine is CC(C)(C(O)=O)c1ccc(cc1)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 fexofenadine.

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

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

• Chemical formula of fexofenadine

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

• Molecular weight of fexofenadine

  The molecular weight of fexofenadine is available in molecular weight page of 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 fexofenadine

  The 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 fexofenadine including the various registry numbers, if available:

  • 4-[4[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid
  • 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylphenylacetic acid
  • 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid
  • 4-[4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha, alpha-dimethylbenzeneacetic acid
  • 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butyl]phenyl]-2-methyl-propanoic acid
  • 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidino}butyl)phenyl]-2-methylpropanoic acid
  • (+)-4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic-acid
  • 2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide
  • SR-01000075889-1
  • C-22951

  • Childrens Allergy Fexofenadine Hydrochloride
  • CCG-204579
  • Health Mart Fexofenadine Hydrochloride
  • Healthy Accents Aller Ease 24 Hour
  • HMS3370C16
  • HMS3261B17
  • Topcare Fexofenadine Hydrochloride
  • Sunmark Fexofenadine Hydrochloride
  • HMDB05030
  • BDBM22874

  • Rugby Fexofenadine Hydrochloride
  • GTPL4819
  • Fexofenadine Hydrochloride 180
  • Allegra 24 Hour (120mg)
  • Siganture Care Allergy Relief
  • Kirkland Signature Aller Fex
  • Wal Fex 24 Hour Allergy
  • Exchange Select Aller Ease
  • Preferred Plus Aller Ease
  • Members Mark Fexofenadine

  • Fexofenodine Hydrochloride
  • Childrens Allegra Allergy
  • Allegra-D 24 HOUR
  • Good Sense Aller Ease
  • Dg Health Aller Ease
  • Care One Aller Ease
  • Shoprite Aller Ease
  • Equaline Aller Ease
  • Allegra 12 Hour
  • Leader Aller Ease

  • Childrens Wal-fex
  • Wal Fex Allergy
  • Wal-fex
  • Aller Ease
  • Fexo Fenadine
  • Mucinex Allergy
  • Vifas
  • Fexidine
  • Fastofen
  • Allegrareg

  • 138452-21-8
  • 76815-58-2
  • 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
  • 159389-12-5
  • Q-201113
  • BRD-A73368467-003-02-8
  • Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-
  • 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid
  • 139965-10-9
  • L000869

  • Allegra-D 12 Hour
  • F 9427
  • D07958
  • MDL-16455
  • Terfenidine carboxylate, MDL 16455
  • Allegra Allergy
  • 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid
  • C32H39NO4
  • 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid
  • Fexofenadine (INN)

  • Telfast (TN)
  • (R)-Fexofenadine
  • Fexofendine
  • MDL 16455
  • Fexofenadine [INN:BAN]
  • Telfast
  • Terfenadine acid metabolite
  • 83799-24-0
  • Terfenadine-COOH
  • Terfenadine carboxylate

  • Allegra
  • Carboxyterfenadine
  • fexofenadine

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Fexofenadine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of fexofenadine?
C32H39NO4
How many atoms and what are the elements included the 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 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 fexofenadine’s molecular weight?
501.65636 g/mol
What’s the SMILES code of fexofenadine?
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
What’s the InChI string of fexofenadine?
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
What’s the InChIKey code of fexofenadine?
RWTNPBWLLIMQHL-UHFFFAOYSA-N