SDF/Mol File of Morclofone (C21H24ClNO5)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Morclofone Molecule

• Chemical structure of Morclofone

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

• Molecular weight of Morclofone

  The molecular weight of Morclofone is available in molecular weight page of Morclofone, 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 Morclofone

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

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

  InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3

  It can provide a standard way to encode the molecular information of Morclofone 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 Morclofone is:

  InChIKey=KVCJCEKJKGLBOK-UHFFFAOYSA-N

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

• Other names (synonyms) or registry numbers of Morclofone

  The Morclofone compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Morclofone including the registry numbers are listed below, if available:

  • Methanone, (4-chlorophenyl)(3,5-dimethoxy-4-(2-(4-morpholinyl)ethoxy)phenyl)- (9CI)
  • (4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone
  • D07395
  • Methanone, (4-chlorophenyl)(3,5-dimethoxy-4-(2-(4-morpholinyl)ethoxy)phenyl)-
  • 31848-02-9 (hydrochloride)
  • VY62TIB872
  • Plausitin (TN)
  • dimecolphenone
  • C21H24ClNO5
  • Morclofonum

  • Morclofona
  • BENZOPHENONE, 4'-CHLORO-3,5-DIMETHOXY-4-(2-MORPHOLINOETHOXY)-
  • 4'-Chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenone
  • Morclofone (INN)
  • K 3712
  • 31848-01-8
  • Nitux
  • Morclofone [INN]
  • Morclofona [INN-Spanish]
  • Morclofonum [INN-Latin]

  • Dimeclophenone
  • Morclofone

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Morclofone Identification Summary Frequently Asked Questions (FAQs)

What’s the Morclofone formula?
C21H24ClNO5
How many atoms and what elements are included in the Morclofone molecule?
52 atom(s) - 24 Hydrogen atom(s), 21 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the Morclofone structure?
54 bond(s) - 30 non-H bond(s), 13 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 3 ether(s) (aromatic)
What’s the Morclofone’s molar mass?
405.87166 g/mol
What’s the SMILES structure of Morclofone?
COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3
What’s the InChI code of Morclofone?
InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3
What’s the InChIKey format of Morclofone?
KVCJCEKJKGLBOK-UHFFFAOYSA-N

36 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).