Molecular Weight of Zomepirac (C15H14ClNO3)
Identification of Zomepirac Chemical Compound
| 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 |
Molecular Weight Description
The zomepirac molecule consists of 14 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Chlorine atom(s) - a total of 34 atom(s). The molecular weight of zomepirac is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 291.72926 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Zomepirac Molecule
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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 on atoms, bonds, connectivity and coordinates of zomepirac. The zomepirac structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of zomepirac
The molecular structure image of zomepirac is available in chemical structure page of zomepirac, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in zomepirac and the chemical bonds that hold the atoms together.
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Chemical formula of zomepirac
The molecular 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.
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InChI (IUPAC International Chemical Identifier) information of zomepirac
In addition to the molecular weight information, the structural information of zomepirac in a textual expression is available via InChi. The full standard InChI of zomepirac is given below:
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 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
It may allow easier web searches for zomepirac. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the zomepirac as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of zomepirac
There may be different names of the zomepirac compound depending on the various situations of industrial applications, which are given below including the 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
Zomepirac Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of zomepirac? |
|---|
| C15H14ClNO3 |
| How many atoms and what are the elements 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 types 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 molar mass of zomepirac? |
| 291.72926 g/mol |
| What’s the SMILES format of zomepirac? |
| Cc1cc(CC(O)=O)n(C)c1C(=O)c2ccc(Cl)cc2 |
| What’s the InChI format 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 string of zomepirac? |
| ZXVNMYWKKDOREA-UHFFFAOYSA-N |
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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).