Structure & Deep Data of Mioflazine (C29H30Cl2F2N4O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Mioflazine molecule contains a total of 72 bond(s). There are 42 non-H bond(s), 20 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 4 six-membered ring(s), 1 primary amide(s) (aliphatic), 1 secondary amide(s) (aliphatic), and 2 tertiary amine(s) (aliphatic). Images of the chemical structure of Mioflazine are given below:

The 2D chemical structure image of Mioflazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Mioflazine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Mioflazine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Mioflazine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Mioflazine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Mioflazine

  The SMILES string of Mioflazine is NC(=O)C1CN(CCN1CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC(=O)Nc4c(Cl)cccc4Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Mioflazine.

• Structure Data File (SDF/MOL File) of Mioflazine

  The structure data file (SDF/MOL File) of Mioflazine is available for download in the SDF page of Mioflazine, which provides the information about the atoms, bonds, connectivity and coordinates of Mioflazine. The Mioflazine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Mioflazine

  The molecular formula of Mioflazine is available in chemical formula page of Mioflazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Mioflazine

  The molecular weight of Mioflazine is available in molecular weight page of Mioflazine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Mioflazine

  The Mioflazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Mioflazine including the various registry numbers, if available:

  • 1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-[(2,6-dichlorophenyl)amino]-2-oxoethyl]piperazine-2-carboxamide
  • 1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide
  • R 51 469
  • R 51469
  • AR-1A0227
  • KST-1A8484
  • R-51469
  • C29H30Cl2F2N4O2
  • 1-Piperazineacetamide, 3-(aminocarbonyl)-4-(4,4-bis(4-fluorophenyl)butyl)-N-(2,6-dichlorophenyl)-
  • Mioflazinum

  • Mioflazina
  • ( inverted exclamation markA)-4-(4,4-bis(p-fluorophenyl)butyl)-3-carbamoyl-2',6'-dichloro-1-piperazineacetanilide
  • ( -)-4-(4,4-Bis(p-fluorophenyl)butyl)-3-carbamoyl-2',6'-dichloro-1-piperazineacetanilide
  • ( -)-2-(4-(4,4-Bis(4-fluorphenyl)butyl)-3-carbamoyl-1-piperazinyl)-2',6'-dichloracetanilid
  • Mioflazina [Spanish]
  • Mioflazinum [Latin]
  • Mioflazine
  • Mioflazine [INN:BAN]
  • 79467-23-5

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Mioflazine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Mioflazine?
C29H30Cl2F2N4O2
How many atoms and what are the elements included the Mioflazine molecule?
69 atom(s) - 30 Hydrogen atom(s), 29 Carbon atom(s), 4 Nitrogen atom(s), 2 Oxygen atom(s), 2 Fluorine atom(s), and 2 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the Mioflazine structure?
72 bond(s) - 42 non-H bond(s), 20 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 4 six-membered ring(s), 1 primary amide(s) (aliphatic), 1 secondary amide(s) (aliphatic), and 2 tertiary amine(s) (aliphatic)
What’s the Mioflazine’s molecular weight?
575.476906 g/mol
What’s the SMILES code of Mioflazine?
NC(=O)C1CN(CCN1CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC(=O)Nc4c(Cl)cccc4Cl
What’s the InChI string of Mioflazine?
InChI=1S/C29H30Cl2F2N4O2/c30-24-4-1-5-25(31)28(24)35-27(38)18-36-15-16-37(26(17-36)29(34)39)14-2-3-23(19-6-10-21(32)11-7-19)20-8-12-22(33)13-9-20/h1,4-13,23,26H,2-3,14-18H2,(H2,34,39)(H,35,38)
What’s the InChIKey code of Mioflazine?
VWXFUOAKGNJSBI-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).