Structure & Deep Data of Diethylcarbamazine (C10H21N3O)
Identification of Diethylcarbamazine Chemical Compound
Chemical Formula | C10H21N3O |
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Molecular Weight | 199.29324 g/mol |
IUPAC Name | N,N-diethyl-4-methylpiperazine-1-carboxamide |
SMILES String | CCN(CC)C(=O)N1CCN(C)CC1 |
InChI | InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3 |
InChIKey | RCKMWOKWVGPNJF-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The diethylcarbamazine molecule contains a total of 35 bond(s). There are 14 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 tertiary amine(s) (aliphatic). Images of the chemical structure of diethylcarbamazine are given below:
The 2D chemical structure image of diethylcarbamazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of diethylcarbamazine 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 diethylcarbamazine 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 diethylcarbamazine. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of diethylcarbamazine is provided here.
The diethylcarbamazine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the diethylcarbamazine molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of diethylcarbamazine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Diethylcarbamazine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of diethylcarbamazine
The SMILES string of diethylcarbamazine is CCN(CC)C(=O)N1CCN(C)CC1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the diethylcarbamazine.
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Structure Data File (SDF/MOL File) of diethylcarbamazine
The structure data file (SDF/MOL File) of diethylcarbamazine is available for download in the SDF page of diethylcarbamazine, which provides the information about the atoms, bonds, connectivity and coordinates of diethylcarbamazine. The diethylcarbamazine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of diethylcarbamazine
The molecular formula of diethylcarbamazine is available in chemical formula page of diethylcarbamazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of diethylcarbamazine
The molecular weight of diethylcarbamazine is available in molecular weight page of diethylcarbamazine, 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.
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Other names (synonyms) or registry numbers of diethylcarbamazine
The diethylcarbamazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of diethylcarbamazine including the various registry numbers, if available:
- EN300-119374
- BBV-38268271
- Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 8-hydroxy-16-[(1S,2R,3S)-2-hydroxy-1-methyl-3-[(2R,4R,5S,6R)-tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-
- 4-Methyl-piperazine-1-carboxylic acid diethylamide
- N,N-diethyl-4-methyl-piperazine-1-carboxamide
- 1-piperazinecarboxamide,n,n-diethyl-4-methyl-
- 1-(N,N-Diethylcarbamoyl)-4-methylpiperazine
- R.P. 3799
- NN-Diethyl-4-methyl-1-piperazinecarboxamide
- 1-(N,N-Diethylcarbamyl)-4-methylpiperazine
- SBI-0051345.P003
- MFCD00023288
- 1-Methyl-4-diethylcarbamylpiperazine
- 1-Diethylcarbamoyl-4-methylpiperzine
- 1-Diethylcarbamyl-4-methylpiperzine
- HMS3604F12
- Bafilomycin A1(Baf-A1)
- diethyl carbamazine citrate
- Nemacide (Salt/Mix)
- Caritrol (Salt/Mix)
- Banocide (Salt/Mix)
- Hetrazan Tab 50mg
- Diethylcarbamazin
- Banocide Forte
- Eofil
- Decet
- Camin
- Dicarb
- Supatonin
- Diethizine
- N,N-diethyl(4-methylpiperazinyl)carboxamide
- 8028-18-0
- 12672-34-3
- BRD-K45542189-048-05-6
- D07825
- 1642-54-2 (citrate (1:1))
- 1-Methyl-4-diethylcarbamoylpiperazine
- 5348-97-0 (mono-hydrochloride)
- 1-Diethylcarbamyl-4-methylpiperazine
- V867Q8X3ZD
- 84L
- 1-Diethylcarbamoyl-4-Methylpiperazine
- Diethylcarbamazine (INN)
- Camin (TN)
- RP 3799
- Dietilcarbamazina [INN-Spanish]
- Diethylcarbamazinum [INN-Latin]
- Luxuran
- Decacide
- Diethylcarbamazine [INN:BAN]
- 1-Piperazinecarboxamide, N,N-diethyl-4-methyl-
- N,N-Diethyl-4-methyl-1-piperazinecarboxamide
- Diaethylcarbamazinum
- Diethylcarbamazinum
- Dietilcarbamazina
- Banocide
- Ditrazine Base
- Diethyl carbamazine
- Caracide
- Spatonin
- Hetrazan
- Bitirazine
- Cypip
- Notezine
- Ethodryl
- Caricide
- Carbilazine
- Carbamazine
- 90-89-1
- diethylcarbamazine
Diethylcarbamazine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of diethylcarbamazine? |
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C10H21N3O |
How many atoms and what are the elements included the diethylcarbamazine molecule? |
35 atom(s) - 21 Hydrogen atom(s), 10 Carbon atom(s), 3 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the diethylcarbamazine structure? |
35 bond(s) - 14 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 tertiary amine(s) (aliphatic) |
What’s the diethylcarbamazine’s molecular weight? |
199.29324 g/mol |
What’s the SMILES code of diethylcarbamazine? |
CCN(CC)C(=O)N1CCN(C)CC1 |
What’s the InChI string of diethylcarbamazine? |
InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3 |
What’s the InChIKey code of diethylcarbamazine? |
RCKMWOKWVGPNJF-UHFFFAOYSA-N |
2330
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).