Structure & Deep Data of BUTAPERAZINE (C24H31N3OS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The BUTAPERAZINE molecule contains a total of 63 bond(s). There are 32 non-H bond(s), 13 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 1 ketone(s) (aromatic), 2 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), and 1 sulfide(s). Images of the chemical structure of BUTAPERAZINE are given below:

The 2D chemical structure image of BUTAPERAZINE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of BUTAPERAZINE 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 BUTAPERAZINE 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 BUTAPERAZINE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying BUTAPERAZINE Molecule

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

  The SMILES string of BUTAPERAZINE is CCCC(=O)c4ccc3Sc1ccccc1N(CCCN2CCN(C)CC2)c3c4, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the BUTAPERAZINE.

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

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

• Chemical formula of BUTAPERAZINE

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

• Molecular weight of BUTAPERAZINE

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

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

  • 1-(10-[3-(4-Methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl)-1-butanone #
  • 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
  • 3-n-Butyryl-10-(3'-N-methyl-piperazino-N'-propyl)phenothiazine
  • D02642
  • TXP4T9106S
  • BAYER-1362
  • Butaperazine (USAN)
  • 1-(10-[3-(4-Methyl-1-piperazinyl)propyl]phenothiazin-2-yl)-1-butanone
  • 1-{10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl}-1-butanone
  • 2-Butyryl-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine

  • Butaperazinum
  • Butaperazina
  • 1-Butanone, 1-[10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl]-
  • 1-Butanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)-
  • 1-(10-(3-(4-Methyl-1-piperazinyl)-propyl)-10H-phenothiazin-2-yl)-1-butanone
  • 1- 10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl -1-butanone
  • N-(gamma-(4'-Methyl-1'-piperazinyl)propyl)-3-butyrylphenothiazine
  • 3-n-Butyryl-10-(3'-N-methyl-piperazino-N'-propyl)phenothiazin
  • 2-Butyryl-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine
  • C24H31N3OS

  • 1-Butanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-
  • 1-(10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-1-butanone
  • AHR-3000
  • 653-03-2
  • Butaperazina [INN-Spanish]
  • Butaperazinum [INN-Latin]
  • Butaperazine [USAN:INN]
  • AHR-712
  • AHR 712
  • Tyrylen

  • Perazine, (1-oxobutyl)-
  • Perazine, butyryl-
  • Bayer 1362
  • Butyrylyperazine
  • Riker 595
  • Repoise
  • Emerex
  • Randolectil
  • Megalectil
  • Butyrylperazine

  • BUTAPERAZINE

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BUTAPERAZINE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of BUTAPERAZINE?
C24H31N3OS
How many atoms and what are the elements included the BUTAPERAZINE molecule?
60 atom(s) - 31 Hydrogen atom(s), 24 Carbon atom(s), 3 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the BUTAPERAZINE structure?
63 bond(s) - 32 non-H bond(s), 13 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 1 ketone(s) (aromatic), 2 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), and 1 sulfide(s)
What’s the BUTAPERAZINE’s molecular weight?
409.58744 g/mol
What’s the SMILES code of BUTAPERAZINE?
CCCC(=O)c4ccc3Sc1ccccc1N(CCCN2CCN(C)CC2)c3c4
What’s the InChI string of BUTAPERAZINE?
InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
What’s the InChIKey code of BUTAPERAZINE?
DVLBYTMYSMAKHP-UHFFFAOYSA-N

465 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).