Structure of Metaproterenol (C11H17NO3)
Powered by CC-DPS Delivering 2,100+ Information Sets per Compound.
| Chemical Formula | C11H17NO3 |
|---|---|
| Molecular Weight | 211.25758 g/mol |
| IUPAC Name | 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol |
| SMILES String | CC(C)NCC(O)c1cc(O)cc(O)c1 |
| InChI | InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3 |
| InChIKey | LMOINURANNBYCM-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The metaproterenol 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 metaproterenol are given below:
The 2D chemical structure image of metaproterenol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of metaproterenol 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 metaproterenol 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 metaproterenol. 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 metaproterenol is provided here.
The metaproterenol 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 metaproterenol 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 metaproterenol 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.
Search Another Chemical Structure
Enter another compound to search for chemical structure:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Metaproterenol Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of metaproterenol
The SMILES string of metaproterenol is CC(C)NCC(O)c1cc(O)cc(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 metaproterenol.
-
Structure Data File (SDF/MOL File) of metaproterenol
The structure data file (SDF/MOL File) of metaproterenol is available for download in the SDF page of metaproterenol, which provides the information about the atoms, bonds, connectivity and coordinates of metaproterenol. The metaproterenol structure data file can be imported to most of the cheminformatics software systems and applications.
-
Chemical formula of metaproterenol
The molecular formula of metaproterenol is available in chemical formula page of metaproterenol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
Molecular weight of metaproterenol
The molecular weight of metaproterenol is available in molecular weight page of metaproterenol, 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.
-
Other names (synonyms) or registry numbers of metaproterenol
The metaproterenol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of metaproterenol including the various registry numbers, if available:
- [2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium (orciprenaline)
- 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol, 6
- 5-[1-hydroxy-2-(1-methylethylamino)ethyl]benzene-1,3-diol
- 3,5-Dihydroxy-.alpha.-((isopropylamino)methyl)benzyl alcohol
- [2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium
- 5-[1-Hydroxy-2-(isopropylamino)ethyl]-1,3-benzenediol #
- 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol
- 5-(1-Hydroxy-2-propan-2-ylamino-ethyl)benzene-1,3-diol
- 3,5-dihydroxy-alpha-[(isopropylamino)methyl]benzenemethanol
- 5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-diol
- 3B1-006410
- SR-01000075168-1
- 1-(3,5-Dihydroxyphenyl)-2-isopropylaminoethanol
- EN300-142650
- Tanta Orciprenaline Syrup - Syr 2mg/ml
- CCG-38914
- BDBM50295572
- 99396-41-5
- Pharmakon1600-01500390
- HMS3259J13
- Ratio-orciprenaline Syrup 2mg/ml
- 1,3-Benzenediol, 5-[(1R)-1-hydroxy-2-[(1-methylethyl)amino]ethyl]-
- GTPL7250
- Alupent Syr 10mg/5.0ml
- Alupent Liq 50mg/ml
- Alupent Tab 20mg
- Alupent Aer
- Nu-orciprenaline
- Orcipren
- Alupentreg
- 5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-diol
- 5-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,3-diol
- Orciprenaline [INN:BAN]
- 1,3-Benzenediol, 5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI)
- Benzyl alcohol, 3,5-dihydroxy-.alpha.-((isopropylamino)methyl)-
- L000678
- M-3070
- D08300
- 1,3-Benzenediol, 5-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-
- Benzyl alcohol, 3,5-dihydroxy-alpha-((isopropylamino)methyl)-
- Metaproterenol Polistirex (metaproterenol)
- 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol
- HMS2091D04
- HMS1920L09
- 1,3-Benzenediol, 5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-
- HMS502A07
- 3,5-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol
- SPECTRUM1500390
- (RS)-1-(3,5-Dihydroxyphenyl)-2-isopropylaminoethanol
- Orciprenaline (INN)
- Novasmasol
- Orciprenaline [INN]
- Orciprenaline sulfate
- Orciprenalina [INN-Spanish]
- Orciprenalinum [INN-Latin]
- Prometa
- Astmopent
- Metaproterenol polistirex
- Alotec
- Orciprenalinum
- Orciprenalina
- Metaproterenol sulfate
- 586-06-1
- Metaprel
- Alupent
- ORCIPRENALINE
- metaproterenol
Metaproterenol Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of metaproterenol? |
|---|
| C11H17NO3 |
| How many atoms and what are the elements included the metaproterenol 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 metaproterenol 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 metaproterenol’s molecular weight? |
| 211.25758 g/mol |
| What’s the SMILES code of metaproterenol? |
| CC(C)NCC(O)c1cc(O)cc(O)c1 |
| What’s the InChI string of metaproterenol? |
| InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3 |
| What’s the InChIKey code of metaproterenol? |
| LMOINURANNBYCM-UHFFFAOYSA-N |