SDF/Mol File of Licofelone (C23H22ClNO2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Licofelone Molecule

• Chemical structure of Licofelone

  By visualizing the structure data file (SDF/MOL File) above, 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 and the chemical bonds that hold the atoms together.

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

• Chemical formula of Licofelone

  The chemical formula of Licofelone is given in chemical formula page of Licofelone, 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 Licofelone

  An alternative way of expressing structural information in text format 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.

• Other names (synonyms) or registry numbers of Licofelone

  The Licofelone compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Licofelone including the registry numbers are listed 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

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Licofelone Identification Summary Frequently Asked Questions (FAQs)

What’s the Licofelone formula?
C23H22ClNO2
How many atoms and what elements are included in the Licofelone molecule?
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 kind of bonds are 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 Licofelone’s molar mass?
379.87898 g/mol
What’s the SMILES structure of Licofelone?
CC4(C)Cc3c(c1ccccc1)c(c2ccc(Cl)cc2)c(CC(O)=O)n3C4
What’s the InChI code 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 format of Licofelone?
UAWXGRJVZSAUSZ-UHFFFAOYSA-N

145 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).