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Structure & Deep Data of Ethambutol (C10H24N2O2)

Identification of Ethambutol Chemical Compound

2D chemical structure image of ethambutol
Chemical Formula C10H24N2O2
Molecular Weight 204.30976 g/mol
IUPAC Name (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol
SMILES String CCC(CO)NCCNC(CC)CO
InChI InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey AEUTYOVWOVBAKS-UWVGGRQHSA-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 ethambutol molecule contains a total of 37 bond(s). There are 13 non-H bond(s), 9 rotatable bond(s), 2 secondary amine(s) (aliphatic), 2 hydroxyl group(s), and 2 primary alcohol(s). Images of the chemical structure of ethambutol are given below:

2D chemical structure image of ethambutol
2-dimensional (2D) chemical structure image of ethambutol
3D chemical structure image of ethambutol
3-dimensional (3D) chemical structure image of ethambutol

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


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of ethambutol is provided here.

The ethambutol 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 ethambutol 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 ethambutol 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
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying Ethambutol Molecule

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

    The SMILES string of ethambutol is CCC(CO)NCCNC(CC)CO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ethambutol.

  • Structure Data File (SDF/MOL File) of ethambutol

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

  • Chemical formula of ethambutol

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

  • Molecular weight of ethambutol

    The molecular weight of ethambutol is available in molecular weight page of ethambutol, 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 ethambutol

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

    • 75343-56-5
    • (S,S)-2,2 inverted exclamation mark -(1,2-Ethanediyldiimino)-bis-1-butanol Dihydrochloride
    • (2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol
    • Ethambutol dihydrochloride, Antibiotic for Culture Media Use Only
    • 2-[2-(1-Hydroxymethyl-propylamino)-ethylamino]-butan-1-ol
    • EN300-150035
    • E-3950
    • SBI-0051375.P003
    • BDBM50448407
    • AR-1C2065
    • AR-1A7805
    • 2860AH
    • HY-B0535
    • KST-1A8084
    • Myambutol Tablets - 400 mg
    • (2S)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
    • (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
    • (2S)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol
    • (2R)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol
    • 2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol
    • (2'S)-2,2'-[Ethane-1,2-diyldi(imino)]dibutan-1-ol
    • (-)-(R,R)-2,2'-(1,2-Ethylenediimino)-di-1-butanol
    • (S,R)-2,2'-(1,2-Ethylenediimino)-di-1-butanol
    • 1-butanol, 2,2'-(1,2-ethanediyldiimino)bis-
    • Myambutol Tab 400mg
    • Myambutol Tab 100mg
    • Ethambutol & Propolis
    • 2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol
    • 2,2'-(1,2-Ethylenediimino)-di-1-butanol
    • Etibi Tab 400mg
    • Etibi Tab 100mg
    • Ethambutol & EEP
    • 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, [S-(R*,R*)]-
    • Sural
    • Mycobutol
    • Etapiam
    • Servambutol
    • 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-
    • CAS-1070-11-7
    • Ethambutol, (-)-isomer
    • Ethambutol, meso form
    • (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
    • (R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol
    • D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine
    • d,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine
    • 1-Butanol, 2,2'-(ethylenediimino)di-, (+)-
    • 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-
    • 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (S-(R*,R*))-
    • (+)-(S,S)-2,2'-(1,2-Ethylenediimino)-di-1-butanol
    • D-2,2'-(Ethylenediimino)bis(1-butanol)
    • (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol
    • D-2,2'-(Ethylenediimino)di-1-butanol
    • D07925
    • 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R-(R*,R*))-
    • C10H24N2O2
    • Ethambutol HCL
    • (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol
    • 8G167061QZ
    • EMB
    • Ethambutolum [INN-Latin]
    • Etambutol [INN-Spanish]
    • Ethambutol dihydrochloride
    • CL 40881 (dihydrochloride)
    • (+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine
    • Miambutol
    • Myambutol (dihydrochloride)
    • Etambutolo [DCIT]
    • D-Ethambutol
    • Ethambutol (INN)
    • Servambutol (TN)
    • Aethambutolum
    • (2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol)
    • S,S-Ethambutol
    • (+)-2,2'-(Ethylenediimino)di-1-butanol
    • Ethambutol [INN:BAN]
    • Ebutol
    • Diambutol
    • (S,S)-ethambutol
    • Purderal
    • Ethambutol Hydrochloride
    • Tibutol
    • (+)-ethambutol
    • (+)-S,S-Ethambutol
    • Etibi
    • Etambutolo
    • Myambutol
    • 74-55-5
    • Ethambutolum
    • Etambutol
    • ethambutol

Ethambutol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ethambutol?
C10H24N2O2
How many atoms and what are the elements included the ethambutol molecule?
38 atom(s) - 24 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the ethambutol structure?
37 bond(s) - 13 non-H bond(s), 9 rotatable bond(s), 2 secondary amine(s) (aliphatic), 2 hydroxyl group(s), and 2 primary alcohol(s)
What’s the ethambutol’s molecular weight?
204.30976 g/mol
What’s the SMILES code of ethambutol?
CCC(CO)NCCNC(CC)CO
What’s the InChI string of ethambutol?
InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
What’s the InChIKey code of ethambutol?
AEUTYOVWOVBAKS-UWVGGRQHSA-N

4499 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).

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