Structure & Deep Data of Salbutamol (C13H21NO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Salbutamol molecule contains a total of 38 bond(s). There are 17 non-H bond(s), 6 multiple bond(s), 5 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 2 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 primary alcohol(s), and 1 secondary alcohol(s). Images of the chemical structure of Salbutamol are given below:

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

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Additional Information for Identifying Salbutamol Molecule

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

  The SMILES string of Salbutamol is CC(C)(C)NCC(O)c1ccc(O)c(CO)c1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Salbutamol.

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

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

• Chemical formula of Salbutamol

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

• Molecular weight of Salbutamol

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

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

  • m-Xylene-.alpha.,.alpha.-diol, .alpha.-1-((tert-butylamino)methyl)-4-hydroxy-
  • m-Xylene-.alpha.,.alpha.'-diol, .alpha.'-((tert-butylamino)methyl)-4-hydroxy-
  • 4-[(1S)-1-hydroxy-2-(propylamino)ethyl]-2-(hydroxymethyl)phenol, oxamethane
  • .alpha.1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol
  • .alpha.1'-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, hemisulfate
  • .alpha.'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol
  • Ventolin I.V. Infusion Solution 5.0mg Salbutamol In 5ml (1000mcg/ml)
  • 4-Hydroxy-3-hydroxymethyl-.alpha.-((tert-butylamino)methyl)benzyl alcohol
  • 4-[(1S)-2-(butylamino)-1-hydroxy-isopropyl]-2-(hydroxymethyl)phenol
  • 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-.alpha.1,.alpha.3-diol

  • Ventolin I.V. Bolus Injection 0.25mg Salbutamol In 5ml (50mcg/ml)
  • Ventolin I.M. Injection 0.5mg Salbutamol In 1 Ml (500mcg/ml)
  • 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol
  • 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol #
  • Albuterol, United States Pharmacopeia (USP) Reference Standard
  • Salbutamol, European Pharmacopoeia (EP) Reference Standard
  • 3B1-002494
  • Salbutamol impurity I (1RS)-2-[(1,1-dimethylethyl)
  • C-14301
  • A812971

  • Ventolin Nebules P.F. Liq Inh 1.25mg/2.5ml
  • AB00052154-09
  • AB00052154-08
  • Salbutamol, VETRANAL(TM), analytical standard
  • K-5595
  • J10176
  • Sabulin Inhaler 100mcg/metered Dose Aerosol
  • Salbutamol Inhalation Solution P.F.-1mg/ml
  • Ventolin Nebules P.F. Sol 2.5mg/2.5ml
  • Ventolin Nebules P.F.- 1.25mg/2.5ml

  • Ventolin Nebules P.F. - 2.5mg/2.5ml
  • Med Salbutamol Inhalation Solution 1mg/ml
  • Dom-salbutamol Respirator Solution-1mg/ml
  • Asmavent Respirator Solution Inh 5mg/ml
  • Nu-salbutamol Plastic Ampules 2 mg/ml
  • Ventolin Nebules P.F. - 5mg/2.5ml
  • Nu-salbutamol Plastic Ampules 1 mg/ml
  • 1,3-Benzenedimethanol, ?1-[[(1,1-dimethylethyl) amino]methyl]-4-hydroxy-
  • Ventolin Nebules PF Sol 5mg/2.5ml
  • CCG-39288

  • Ventolin Respirator Solution 5mg/ml
  • Ventolin IV Bolus Inj 0.05mg/ml
  • Ventolin Injection Liq IV 5mg/5ml
  • Mylan-salbutamol Respirator Solution
  • HY-B1037
  • PHL-salbutamol Respirator Solution
  • Pharmakon1600-01500677
  • KUC106739N
  • HMS2095H17
  • Bci Salbutamol Inhalation Solution

  • ZX-AFC000812
  • Novo-salmol Inhaler 100mcg/aem
  • BDBM25769
  • Ventolin Oral Liquid 0.4mg/ml
  • Teva-salbutamol Sterinebs P.F.
  • Ventodisk Pwr 400mcg/blister
  • Ventodisk Pwr 200mcg/blister
  • Salbutamol Inhalation Solution
  • Ventolin Inhaler 100mcg/aem
  • Salbutamol, 99% 250mg

  • GTPL558
  • Ventolin Im Inj 0.5mg/ml
  • Ventolin Respirator Solution
  • Salbutamol Nebuamp 0.05%
  • Apo-salvent Tablets - 4mg
  • Apo-salvent Tablets - 2mg
  • PHL-salbutamol Oral Liquid
  • EC 242-424-0
  • Ventolin Rotacaps 400mcg
  • Ventolin Rotacaps 200mcg

  • Salbutamol Nebuamp 0.2%
  • Salbutamol Nebuamp 0.1%
  • Nu-salbutamol - Tab 4mg
  • Nu-salbutamol - Tab 2mg
  • Apo-salvent Aem 100mcg
  • Salbutamol [INN:BAN]
  • Salbu-4 - Tab 4mg
  • Salbu-2 - Tab 2mg
  • Asmavent Nebules P.F.
  • Levalbuterol Inhalation

  • Venetlin (Salt/Mix)
  • Salbutamol,(+/-)
  • Novo-salmol Tab 4mg
  • Novo-salmol Tab 2mg
  • Apo-salvent Cfc Free
  • Ratio-salbutamol HFA
  • alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol
  • Albuterol Sulfate ER
  • VENTOLINHFA
  • Ventolin Oral Liquid

  • PROAIRHFA
  • Novo-salbutamol HFA
  • CAS-18559-94-9
  • Apo-salvent Sterules
  • Apo-salvent 5mg/ml
  • Ventodisk 400mcg
  • Ventodisk 200mcg
  • Ventolin Tab 4mg
  • Sandoz Salbutamol
  • Salamol EB

  • Proairhfa HFA
  • Salbutamol HFA
  • Ventolinhfa HFA
  • PMS-salbutamol
  • Ratio-salbutamol
  • Ventolin Diskus
  • Levosalbutamol Hydrochloride
  • Ventolinreg
  • sabumol
  • Albuterol [USAN:USP]

  • SCH-13949W
  • 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, (+-)-
  • 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-
  • 1,3-Benzenedimethanol, .alpha.(1)-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-
  • (alpha1-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha-diol)
  • alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha -diol
  • 4-{2-[(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol
  • 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol
  • Eolene
  • (l)-albuterol

  • Q-201696
  • Q-201695
  • I06-0331
  • BRD-A88254928-001-04-6
  • HMS2089I19
  • HMS1921C04
  • HMS1568H17
  • alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol
  • 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol
  • HMS502P05

  • SGCUT00011
  • SPECTRUM1500677
  • Combivent
  • ALBUTEROL (+/-)
  • 2-(tert-Butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol
  • Proventil (TN)
  • Proair HFA
  • Albuterol (USP)
  • Albuterol Sulphate
  • racemic-Salbutamol

  • 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol
  • Salbutamol Sulphate
  • AH 3365
  • Volma
  • Cetsim
  • Salbutine
  • Salbutard
  • Salbutamol sulfate
  • Sabutamol
  • Rotahaler

  • Ecovent
  • ALBUTEROL SULFATE
  • AccuNeb
  • Albuterol [USAN]
  • Salbutamolum
  • Salbutamolum [INN-Latin]
  • ProAir
  • Volare albuterol HFA
  • Vospire
  • Solbutamol

  • Asthavent
  • (+-)-Albuterol
  • Arubendol-Salbutamol
  • (+-)-Salbutamol
  • Volare easi-breathe
  • Salbu-BASF
  • R,S-Albuterol
  • Asmol Uni-Dose
  • Buto-Asma
  • Salbu-Fatol

  • Ventalin inhaler
  • Broncho-Spray
  • Alti-Salbutamol
  • Suxar
  • Mozal
  • Bumol
  • Zaperin
  • Theosal
  • Salvent
  • Salomol

  • Salbron
  • Sabutal
  • Respax
  • Parasma
  • Medolin
  • Butotal
  • Butamol
  • Bugonol
  • Bronter
  • Asmidon

  • Asmatol
  • Asmasal
  • Asmanil
  • Asmadil
  • Anebron
  • Almotex
  • Ventodisks
  • Ventiloboi
  • Ventamol
  • Vencronyl

  • Tobybron
  • Suprasma
  • Servitamol
  • Salmaplon
  • Sallbupp
  • Salbuven
  • Salbutol
  • Salbutan
  • Salbutalan
  • Salbusian

  • Salbupur
  • Salbuhexal
  • Salbetol
  • Respolin
  • Pneumolat
  • Novosalmol
  • Libretin
  • Grafalin
  • Gerivent
  • Farcolin

  • Dilatamol
  • L000531
  • (+-)-alpha(sup 1)-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxy-1,3-benzenedimethanol
  • S 8260
  • D02147
  • 4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol
  • 1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-
  • PMS-salbutamol Oral Liquid
  • VU0243312-5
  • nchembio801-comp4

  • m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy-
  • 2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol
  • Proair Respiclick
  • 35763-26-9
  • MFCD00148978
  • alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol
  • 1,3-Benzenedimethanol, alpha1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-
  • Ventorlin
  • m-Xylene-alpha,alpha'-diol, alpha-((tert-butylamino)methyl)-4-hydroxy-
  • DL-N-tert-Butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine

  • alpha'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol
  • 4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol
  • HMS2092I08
  • Butovent
  • Butohaler
  • Ventolin Rotacaps
  • Proventil Inhaler
  • Sultanol N
  • Spreor
  • Ventilan

  • Saventol
  • Salbuvent
  • Salbulin
  • Cobutolin
  • Buventol
  • Asmaven
  • Airomir
  • Ventolin
  • dl-Salbutamol
  • dl-Albuterol

  • Asmol
  • Salamol
  • Ventoline
  • Broncovaleas
  • Asthalin
  • Proventil HFA
  • Ventolin Inhaler
  • Volmax
  • Aerolin
  • Sultanol

  • Proventil
  • 18559-94-9
  • albuterol
  • Salbutamol

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Salbutamol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Salbutamol?
C13H21NO3
How many atoms and what are the elements included the Salbutamol molecule?
38 atom(s) - 21 Hydrogen atom(s), 13 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Salbutamol structure?
38 bond(s) - 17 non-H bond(s), 6 multiple bond(s), 5 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 2 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 primary alcohol(s), and 1 secondary alcohol(s)
What’s the Salbutamol’s molecular weight?
239.31074 g/mol
What’s the SMILES code of Salbutamol?
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
What’s the InChI string of Salbutamol?
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
What’s the InChIKey code of Salbutamol?
NDAUXUAQIAJITI-UHFFFAOYSA-N

6274 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).