Structure & Deep Data of Dl-Normetazocine (C14H19NO)
Identification of Dl-Normetazocine Chemical Compound
Chemical Formula | C14H19NO |
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Molecular Weight | 217.30676 g/mol |
IUPAC Name | (1R,9R)-1,13-dimethyl-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol |
SMILES String | CC2C3Cc1ccc(O)cc1C2(C)CCN3 |
InChI | InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9?,13-,14-/m1/s1 |
InChIKey | DXESFJJJWBHLJX-AVHHSYQXSA-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 dl-Normetazocine molecule contains a total of 37 bond(s). There are 18 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 3 six-membered ring(s), 1 eight-membered ring(s), 1 ten-membered ring(s), 1 twelve-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 aromatic hydroxyl(s). Images of the chemical structure of dl-Normetazocine are given below:
The 2D chemical structure image of dl-Normetazocine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of dl-Normetazocine 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 dl-Normetazocine 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 dl-Normetazocine. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of dl-Normetazocine is provided here.
The dl-Normetazocine 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 dl-Normetazocine 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 dl-Normetazocine 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 Dl-Normetazocine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of dl-Normetazocine
The SMILES string of dl-Normetazocine is CC2C3Cc1ccc(O)cc1C2(C)CCN3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the dl-Normetazocine.
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Structure Data File (SDF/MOL File) of dl-Normetazocine
The structure data file (SDF/MOL File) of dl-Normetazocine is available for download in the SDF page of dl-Normetazocine, which provides the information about the atoms, bonds, connectivity and coordinates of dl-Normetazocine. The dl-Normetazocine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of dl-Normetazocine
The molecular formula of dl-Normetazocine is available in chemical formula page of dl-Normetazocine, 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 dl-Normetazocine
The molecular weight of dl-Normetazocine is available in molecular weight page of dl-Normetazocine, 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 dl-Normetazocine
The dl-Normetazocine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of dl-Normetazocine including the various registry numbers, if available:
- J-015836
- 25144-78-9
- dl-Normetazocine
Dl-Normetazocine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of dl-Normetazocine? |
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C14H19NO |
How many atoms and what are the elements included the dl-Normetazocine molecule? |
35 atom(s) - 19 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the dl-Normetazocine structure? |
37 bond(s) - 18 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 3 six-membered ring(s), 1 eight-membered ring(s), 1 ten-membered ring(s), 1 twelve-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 aromatic hydroxyl(s) |
What’s the dl-Normetazocine’s molecular weight? |
217.30676 g/mol |
What’s the SMILES code of dl-Normetazocine? |
CC2C3Cc1ccc(O)cc1C2(C)CCN3 |
What’s the InChI string of dl-Normetazocine? |
InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9?,13-,14-/m1/s1 |
What’s the InChIKey code of dl-Normetazocine? |
DXESFJJJWBHLJX-AVHHSYQXSA-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).