Structure & Deep Data of Denopamine (C18H23NO4)
Identification of Denopamine Chemical Compound
Chemical Formula | C18H23NO4 |
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Molecular Weight | 317.37952 g/mol |
IUPAC Name | 4-[(1R)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl]phenol |
SMILES String | COc2ccc(CCNCC(O)c1ccc(O)cc1)cc2OC |
InChI | InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1 |
InChIKey | VHSBBVZJABQOSG-INIZCTEOSA-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 Denopamine molecule contains a total of 47 bond(s). There are 24 non-H bond(s), 12 multiple bond(s), 8 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 secondary alcohol(s), and 2 ether(s) (aromatic). Images of the chemical structure of Denopamine are given below:
The 2D chemical structure image of Denopamine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Denopamine 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 Denopamine 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 Denopamine. 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 Denopamine is provided here.
The Denopamine 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 Denopamine 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 Denopamine 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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- Name: ethanol
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Denopamine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Denopamine
The SMILES string of Denopamine is COc2ccc(CCNCC(O)c1ccc(O)cc1)cc2OC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Denopamine.
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Structure Data File (SDF/MOL File) of Denopamine
The structure data file (SDF/MOL File) of Denopamine is available for download in the SDF page of Denopamine, which provides the information about the atoms, bonds, connectivity and coordinates of Denopamine. The Denopamine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Denopamine
The molecular formula of Denopamine is available in chemical formula page of Denopamine, 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 Denopamine
The molecular weight of Denopamine is available in molecular weight page of Denopamine, 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 Denopamine
The Denopamine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Denopamine including the various registry numbers, if available:
- 4-[(1R)-2-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenol
- (-)-alpha-(3,4-Dimethoxyphenethylaminomethyl)-4-hydroxy-benzyl-alcohol
- (-)-|A-(3,4-Dimethoxyphenethylaminomethyl)-4-hydroxy-benzyl-alcohol
- C-19524
- D02614
- R(-)-Denopamine, >=98% (HPLC), powder
- CAS-71771-90-9
- K215
- MFCD00867122
- BDBM50252956
- (-)-(R)-alpha-(((3,4-Dimethoxyphenethyl)amino)methyl)-p-hydroxybenzyl alcohol
- GTPL534
- Lopac-D-7815
- Denopamine (JAN/INN)
- R -DENOPAMINE
- Kalgut (TN)
- Benzenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-4-hydroxy-, (R)-
- R()-Denopamine
- (-)-(R)-1-(p-Hydroxyphenyl)-2-((3,4-dimethoxyphenethyl)amino)ethanol
- carguto
- 4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol
- Denopaminum
- Denopamina
- Denopamine [INN:JAN]
- Denopamina [Spanish]
- R(-)-Denopamine
- TA 064
- 71771-90-9
- Kalgut
- Denopamine
- Denopaminum [Latin]
- V5F60UPD8P
Denopamine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Denopamine? |
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C18H23NO4 |
How many atoms and what are the elements included the Denopamine molecule? |
46 atom(s) - 23 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Denopamine structure? |
47 bond(s) - 24 non-H bond(s), 12 multiple bond(s), 8 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 secondary alcohol(s), and 2 ether(s) (aromatic) |
What’s the Denopamine’s molecular weight? |
317.37952 g/mol |
What’s the SMILES code of Denopamine? |
COc2ccc(CCNCC(O)c1ccc(O)cc1)cc2OC |
What’s the InChI string of Denopamine? |
InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1 |
What’s the InChIKey code of Denopamine? |
VHSBBVZJABQOSG-INIZCTEOSA-N |
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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).