Formula of Licofelone (C23H22ClNO2)
Identification of Licofelone Chemical Compound
| Chemical Formula | C23H22ClNO2 |
|---|---|
| Molecular Weight | 379.87898 g/mol |
| IUPAC Name | 2-[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid |
| SMILES String | CC4(C)Cc3c(c1ccccc1)c(c2ccc(Cl)cc2)c(CC(O)=O)n3C4 |
| InChI | InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) |
| InChIKey | UAWXGRJVZSAUSZ-UHFFFAOYSA-N |
Chemical Formula Description
The Licofelone molecule contains a total of 49 atom(s). There are 22 Hydrogen atom(s), 23 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Chlorine atom(s). A chemical formula of Licofelone can therefore be written as:
C23H22ClNO2
The chemical formula of Licofelone 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Licofelone Molecule
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Structure Data File (SDF/MOL File) of Licofelone
The structure data file (SDF/MOL File) of Licofelone is available for download in the SDF page of Licofelone providing the information about the atoms, bonds, connectivity and coordinates of Licofelone, which is not completely available in the chemical formula representation. The Licofelone structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Licofelone
The chemical structure image of Licofelone is available in chemical structure page of Licofelone, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Licofelone and the chemical bonds that hold the atoms together.
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Molecular weight of Licofelone
The molecular weight of Licofelone is available in molecular weight page of Licofelone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Licofelone.
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InChI (IUPAC International Chemical Identifier) information of Licofelone
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Licofelone is:
InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
It can provide a standard way to encode the molecular information of Licofelone 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 Licofelone is:
InChIKey=UAWXGRJVZSAUSZ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Licofelone, but it needs to be linked to the full InChI to get back to the original structure of the Licofelone since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Licofelone
The Licofelone compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Licofelone including the registry numbers is given below, if available:
- 6-?(4-?CHLOROPHENYL)-?2,?3-?DIHYDRO-?2,?2-?DIMETHYL-?7-?PHENYL-?1H-?PYRROLIZINE-?5-?ACETIC ACID
- 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-ylacetic acid
- 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanoic acid
- 1H-Pyrrolizine-5-aceticacid, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-
- [2-(4-Chloro-phenyl)-6,6-dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid
- J-009352
- A809783
- Q-9198
- BDBM50038649
- HMS3655D21
- P5T6BYS22Y
- 2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl)acetic acid
- (6-(4-Chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetic acid
- LCF
- 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
- 1H-Pyrrolizine-5-acetic acid, 2,3-dihydro-6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-
- (2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)acetic acid
- 2,3-Dihydro-6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-1H-pyrrolizine-5-acetic acid
- 2,2-Dimethyl-6-(4-chlorophenyl-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)acetic acid
- [6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID
- 6-(4-Chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-1H-pyrrolizine-5-acetic acid
- Licofelone, ML-3000
- C23H22ClNO2
- ML 3000
- Licofelone [INN]
- 156897-06-2
- Licofelone
Licofelone Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Licofelone? |
|---|
| C23H22ClNO2 |
| How many atoms and what are they in the Licofelone structure? |
| 49 atom(s) - 22 Hydrogen atom(s), 23 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what are they in the Licofelone structure? |
| 52 bond(s) - 30 non-H bond(s), 18 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 17 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 eight-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 hydroxyl group(s), and 1 Pyrrole(s) |
| What’s the molecular weight of Licofelone? |
| 379.87898 g/mol |
| What’s the SMILES string of Licofelone? |
| CC4(C)Cc3c(c1ccccc1)c(c2ccc(Cl)cc2)c(CC(O)=O)n3C4 |
| What’s the InChI of Licofelone? |
| InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) |
| What’s the InChIKey of Licofelone? |
| UAWXGRJVZSAUSZ-UHFFFAOYSA-N |
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