Formula of Pipobroman (C10H16Br2N2O2)
Identification of Pipobroman Chemical Compound
| Chemical Formula | C10H16Br2N2O2 |
|---|---|
| Molecular Weight | 356.05424 g/mol |
| IUPAC Name | 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one |
| SMILES String | BrCCC(=O)N1CCN(CC1)C(=O)CCBr |
| InChI | InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2 |
| InChIKey | NJBFOOCLYDNZJN-UHFFFAOYSA-N |
Chemical Formula Description
The pipobroman molecule contains a total of 32 atom(s). There are 16 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s), and 2 Bromine atom(s). A chemical formula of pipobroman can therefore be written as:
C10H16Br2N2O2
The chemical formula of pipobroman shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Pipobroman Molecule
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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 providing the information about the atoms, bonds, connectivity and coordinates of pipobroman, which is not completely available in the chemical formula representation. The pipobroman structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of pipobroman
The chemical structure image of pipobroman is available in chemical structure page of pipobroman, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of pipobroman and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of pipobroman.
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InChI (IUPAC International Chemical Identifier) information of pipobroman
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of pipobroman is:
InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
It can provide a standard way to encode the molecular information of pipobroman 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 pipobroman is:
InChIKey=NJBFOOCLYDNZJN-UHFFFAOYSA-N
The InChIKey may allow easier web searches for pipobroman, but it needs to be linked to the full InChI to get back to the original structure of the pipobroman since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of pipobroman
The pipobroman compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of pipobroman including the registry numbers is given below, 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
Pipobroman Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of pipobroman? |
|---|
| C10H16Br2N2O2 |
| How many atoms and what are they in the pipobroman structure? |
| 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 are they in 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 molecular weight of pipobroman? |
| 356.05424 g/mol |
| What’s the SMILES string of pipobroman? |
| BrCCC(=O)N1CCN(CC1)C(=O)CCBr |
| What’s the InChI 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 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).