Structure & Deep Data of LEVISOPRENALINE (C11H17NO3)
Identification of LEVISOPRENALINE Chemical Compound
Chemical Formula | C11H17NO3 |
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Molecular Weight | 211.25758 g/mol |
IUPAC Name | 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
SMILES String | CC(C)NCC(O)c1ccc(O)c(O)c1 |
InChI | InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1 |
InChIKey | JWZZKOKVBUJMES-NSHDSACASA-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 LEVISOPRENALINE molecule contains a total of 32 bond(s). There are 15 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), 2 aromatic hydroxyl(s), and 1 secondary alcohol(s). Images of the chemical structure of LEVISOPRENALINE are given below:
The 2D chemical structure image of LEVISOPRENALINE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of LEVISOPRENALINE 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 LEVISOPRENALINE 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 LEVISOPRENALINE. 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 LEVISOPRENALINE is provided here.
The LEVISOPRENALINE 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 LEVISOPRENALINE 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 LEVISOPRENALINE 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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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying LEVISOPRENALINE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of LEVISOPRENALINE
The SMILES string of LEVISOPRENALINE is CC(C)NCC(O)c1ccc(O)c(O)c1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the LEVISOPRENALINE.
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Structure Data File (SDF/MOL File) of LEVISOPRENALINE
The structure data file (SDF/MOL File) of LEVISOPRENALINE is available for download in the SDF page of LEVISOPRENALINE, which provides the information about the atoms, bonds, connectivity and coordinates of LEVISOPRENALINE. The LEVISOPRENALINE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of LEVISOPRENALINE
The molecular formula of LEVISOPRENALINE is available in chemical formula page of LEVISOPRENALINE, 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 LEVISOPRENALINE
The molecular weight of LEVISOPRENALINE is available in molecular weight page of LEVISOPRENALINE, 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 LEVISOPRENALINE
The LEVISOPRENALINE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of LEVISOPRENALINE including the various registry numbers, if available:
- 137-95-1
- 110537-43-4
- CAS-5984-95-2
- CCG-204758
- 588N0603CT
- BDBM50407517
- (R)-(-)-Isoproterenol, crystalline
- Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, (-)-
- 1,2-Benzenediol, 4-((1R)-1-hydroxy-2-((1-methylethyl)amino)ethyl)-
- Lopac-I-6504
- Tocris-1747
- 5FW
- 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (R)-
- Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamin)methyl)-, (-)-
- Levoisoproterenol
- r-isoprenaline
- 4-[(1R)-1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol
- Levisoprenalina [INN-Spanish]
- Levisoprenalinum [INN-Latin]
- L-Isopropylnorepinephrine
- Isoproterenol, L-
- Proternol L
- (R)-(-)-Isoproterenol
- l-Isopropylnoradrenaline
- 51-31-0
- (-)-N-Isopropylnoradrenaline
- l-Isoprenaline
- l-Isoproterenol
- Isopropyl norepinephrine
- L-(-)-Isoproterenol
- Levisoprenalinum
- Levisoprenalina
- (R)-Isoproterenol
- (-)-Isoprenaline
- (R)-Isoprenaline
- (-)-Isoproterenol
- LEVISOPRENALINE
- Lopac-I-5627
LEVISOPRENALINE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of LEVISOPRENALINE? |
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C11H17NO3 |
How many atoms and what are the elements included the LEVISOPRENALINE molecule? |
32 atom(s) - 17 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the LEVISOPRENALINE structure? |
32 bond(s) - 15 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), 2 aromatic hydroxyl(s), and 1 secondary alcohol(s) |
What’s the LEVISOPRENALINE’s molecular weight? |
211.25758 g/mol |
What’s the SMILES code of LEVISOPRENALINE? |
CC(C)NCC(O)c1ccc(O)c(O)c1 |
What’s the InChI string of LEVISOPRENALINE? |
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1 |
What’s the InChIKey code of LEVISOPRENALINE? |
JWZZKOKVBUJMES-NSHDSACASA-N |
250
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).