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Formula of Zomepirac (C15H14ClNO3)

Identification of Zomepirac Chemical Compound

2D chemical structure image of zomepirac
Chemical Formula C15H14ClNO3
Molecular Weight 291.72926 g/mol
IUPAC Name 2-{5-[(4-chlorophenyl)carbonyl]-1,4-dimethyl-1H-pyrrol-2-yl}acetic acid
SMILES String Cc1cc(CC(O)=O)n(C)c1C(=O)c2ccc(Cl)cc2
InChI 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)
InChIKey ZXVNMYWKKDOREA-UHFFFAOYSA-N

Chemical Formula Description

The zomepirac molecule contains a total of 34 atom(s). There are 14 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Chlorine atom(s). A chemical formula of zomepirac can therefore be written as:

C15H14ClNO3

The chemical formula of zomepirac shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of zomepirac
Ball-and-stick model of zomepirac

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Additional Information for Identifying Zomepirac Molecule


  • InChI (IUPAC International Chemical Identifier) information of zomepirac

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of zomepirac including the registry numbers is given 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

Zomepirac Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of zomepirac?
C15H14ClNO3
How many atoms and what are they in the zomepirac structure?
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 are they 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 molecular weight of zomepirac?
291.72926 g/mol
What’s the SMILES string of zomepirac?
Cc1cc(CC(O)=O)n(C)c1C(=O)c2ccc(Cl)cc2
What’s the InChI 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 of zomepirac?
ZXVNMYWKKDOREA-UHFFFAOYSA-N

38 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).

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