Structure & Deep Data of (+)-Terbutaline (C12H19NO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (+)-Terbutaline molecule contains a total of 35 bond(s). There are 16 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 (+)-Terbutaline are given below:

The 2D chemical structure image of (+)-Terbutaline is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (+)-Terbutaline 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 (+)-Terbutaline 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 (+)-Terbutaline. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (+)-Terbutaline Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (+)-Terbutaline

  The SMILES string of (+)-Terbutaline is CC(C)(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 (+)-Terbutaline.

• Structure Data File (SDF/MOL File) of (+)-Terbutaline

  The structure data file (SDF/MOL File) of (+)-Terbutaline is available for download in the SDF page of (+)-Terbutaline, which provides the information about the atoms, bonds, connectivity and coordinates of (+)-Terbutaline. The (+)-Terbutaline structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (+)-Terbutaline

  The molecular formula of (+)-Terbutaline is available in chemical formula page of (+)-Terbutaline, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (+)-Terbutaline

  The molecular weight of (+)-Terbutaline is available in molecular weight page of (+)-Terbutaline, 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 (+)-Terbutaline

  The (+)-Terbutaline compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (+)-Terbutaline including the various registry numbers, if available:

  • (+)-Terbutaline

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(+)-Terbutaline Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (+)-Terbutaline?
C12H19NO3
How many atoms and what are the elements included the (+)-Terbutaline molecule?
35 atom(s) - 19 Hydrogen atom(s), 12 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the (+)-Terbutaline structure?
35 bond(s) - 16 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 (+)-Terbutaline’s molecular weight?
225.28416 g/mol
What’s the SMILES code of (+)-Terbutaline?
CC(C)(C)NCC(O)c1cc(O)cc(O)c1
What’s the InChI string of (+)-Terbutaline?
InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3/t11-/m1/s1
What’s the InChIKey code of (+)-Terbutaline?
XWTYSIMOBUGWOL-LLVKDONJSA-N

1032 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).