SDF/Mol File of Zomepirac (C15H14ClNO3)

Structure Data File (SDF/MOL File) Description

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chemical table area

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Additional Information for Identifying Zomepirac Molecule

• Chemical structure of zomepirac

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of zomepirac is available in chemical structure page of zomepirac, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of zomepirac

  The chemical formula of zomepirac is given 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.

• InChI (IUPAC International Chemical Identifier) information of zomepirac

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of zomepirac is:

  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)

  It can provide a standard way to encode the molecular information of zomepirac to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of zomepirac is:

  InChIKey=ZXVNMYWKKDOREA-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for zomepirac, but it needs to be linked to the full InChI to get back to the original structure of the zomepirac since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of zomepirac

  The zomepirac compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of zomepirac including the registry numbers are listed below, 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 zomepirac formula?
C15H14ClNO3
How many atoms and what elements are included in 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 in 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 molar mass?
291.72926 g/mol
What’s the SMILES structure of zomepirac?
Cc1cc(CC(O)=O)n(C)c1C(=O)c2ccc(Cl)cc2
What’s the InChI code 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 format of zomepirac?
ZXVNMYWKKDOREA-UHFFFAOYSA-N

27 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).