Structure & Deep Data of Zomepirac (C15H14ClNO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The zomepirac molecule contains a total of 35 bond(s). There are 21 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ketone(s) (aromatic), 1 hydroxyl group(s), and 1 Pyrrole(s). Images of the chemical structure of zomepirac are given below:

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

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Additional Information for Identifying Zomepirac Molecule

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

  The SMILES string of zomepirac is Cc1cc(CC(O)=O)n(C)c1C(=O)c2ccc(Cl)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the zomepirac.

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

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

• Chemical formula of zomepirac

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

• Molecular weight of zomepirac

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

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

  • 2-(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl)acetic acid
  • 1H-Pyrrole-2-aceticacid, 5-(4-chlorobenzoyl)-1,4-dimethyl-
  • [5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid
  • 5-(p-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic acid
  • 5-(p-chlorobenzoyl)-1,4-dimethyl-pyrrole-2-acetic acid
  • BRD-K81326768-236-03-4
  • BRD-K81326768-001-02-4
  • SBI-0051557.P002
  • 822G987U9J
  • 64092-48-4 (hydrochloride salt)

  • CCG-39056
  • BDBM50027952
  • 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate dihydrate
  • 1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-
  • Pharmakon1600-01500615
  • SPECTRUM1500615
  • ZOM
  • {5-[(4-chlorophenyl)carbonyl]-1,4-dimethyl-1H-pyrrol-2-yl}acetic acid
  • zomiperac
  • 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid

  • Zomepirac sodium dihydrate
  • C15H14ClNO3
  • [5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid
  • Zomax
  • Zomepirac [INN:BAN]
  • Zomepiracum [INN-Latin]
  • 5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid
  • Zomepiracum
  • ZOMEPIRAC SODIUM
  • 33369-31-2

  • zomepirac
  • HMS2092E04
  • HMS1921K11
  • HMS502P15

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Zomepirac Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of zomepirac?
C15H14ClNO3
How many atoms and what are the elements included the zomepirac molecule?
34 atom(s) - 14 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the zomepirac structure?
35 bond(s) - 21 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ketone(s) (aromatic), 1 hydroxyl group(s), and 1 Pyrrole(s)
What’s the zomepirac’s molecular weight?
291.72926 g/mol
What’s the SMILES code of zomepirac?
Cc1cc(CC(O)=O)n(C)c1C(=O)c2ccc(Cl)cc2
What’s the InChI string of zomepirac?
InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)
What’s the InChIKey code of zomepirac?
ZXVNMYWKKDOREA-UHFFFAOYSA-N

314 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).