Structure & Deep Data of Pipobroman (C10H16Br2N2O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The pipobroman molecule contains a total of 32 bond(s). There are 16 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 six-membered ring(s), and 2 tertiary amide(s) (aliphatic). Images of the chemical structure of pipobroman are given below:

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

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Additional Information for Identifying Pipobroman Molecule

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

  The SMILES string of pipobroman is BrCCC(=O)N1CCN(CC1)C(=O)CCBr, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the pipobroman.

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

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

• Chemical formula of pipobroman

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

• Molecular weight of pipobroman

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

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

  • Vercytereg
  • 3B1-006101
  • SR-05000001858-2
  • AB00052352-02
  • 4CH-024671
  • Piperazine,4-bis(3-bromo-1-oxopropyl)-
  • 1,4-Bis(3-bromopropanoyl)piperazine #
  • Piperazine,4-bis(3-bromopropionyl)-
  • MFCD00866372
  • CCG-39748

  • 7981AB
  • 1,4-di(3-bromopropionyl)piperazine
  • Pharmakon1600-01503393
  • GTPL7271
  • 6Q99RDT97R
  • Vercite, Vercyte
  • Vercite
  • CAS-54-91-1
  • D00467
  • 1, 4-Bis(3-bromopropionyl)piperazine

  • HMS2093E11
  • HMS1922C10
  • HMS502H21
  • SPECTRUM1503393
  • Pipobroman (JAN/USAN/INN)
  • VERCYTE (TN)
  • N,N'-Bis(3-bromopropionyl)piperazine
  • 1,4-Bis(3-bromopropanoyl)piperazine
  • Pipobroman [USAN:INN]
  • N,N-Bis-(3-bromopropionyl)-piperazine

  • C10H16Br2N2O2
  • Piperazine, 1,4-bis(3-bromopropionyl)-
  • A 1803
  • Pipobromanum [INN-Latin]
  • 1,4-Bis(3-bromopropionyl)piperazine
  • A-8103
  • Piperazine, 1,4-bis(3-bromo-1-oxopropyl)-
  • Pipobromanum
  • 1,1'-(Piperazine-1,4-diyl)bis(3-bromopropan-1-one)
  • 54-91-1

  • Amedel
  • pipobroman
  • Vercyte

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Pipobroman Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of pipobroman?
C10H16Br2N2O2
How many atoms and what are the elements included the pipobroman molecule?
32 atom(s) - 16 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s), and 2 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the pipobroman structure?
32 bond(s) - 16 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 six-membered ring(s), and 2 tertiary amide(s) (aliphatic)
What’s the pipobroman’s molecular weight?
356.05424 g/mol
What’s the SMILES code of pipobroman?
BrCCC(=O)N1CCN(CC1)C(=O)CCBr
What’s the InChI string of pipobroman?
InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
What’s the InChIKey code of pipobroman?
NJBFOOCLYDNZJN-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).