Compound: Salbutamol
SMILES: Oc1c(cc(C(O)CNC(C)(C)C)cc1)CO
InChIKey: NDAUXUAQIAJITI-UHFFFAOYSA-N
Synonyms: Salbutamol, albuterol, 18559-94-9, Ventoline, Proventil HFA, Salbutamolum, Asthalin, Cobutolin, Salbuvent, Asmaven, Salamol, Asmol, Aerolin, 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol, Ventilan, Ventodisks, Airomir, Etinoline, Vospire, 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol, SCH-13949W, 2-(tert-Butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol, QF8SVZ843E, NSC-757417, DTXSID5021255, SCH 13949W, CHEBI:2549, DTXCID001255, 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, salbutamolo, Salipraneb, Airsalb, Asmavent, Kentamol, Libetist, Rimasal, Salapin, Combivent udvs, Aerolin auto, Ventolin cr, Ventmax sr, Asmasal clickhaler, Asmasal spacehaler, Salbulin novolizer, Ipramol steri-neb, Salamol e-breathe, Steri-neb salamol, Ventolin e-breathe, Aerolin 400, PROAIRHFA, VENTOLINHFA, RefChem:54031, 2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol, 242-424-0, Proventil, Broncovaleas, dl-Salbutamol, dl-Albuterol, Ventolin Inhaler, Salbulin, Saventol, Spreor, Ventolin, Sultanol N, Proventil Inhaler, Novosalmol, Salbuhexal, Salbutalan, Servitamol, Ventiloboi, Almotex, Anebron, Asmadil, Asmanil, Asmasal, Asmatol, Asmidon, Bronter, Bugonol, Butamol, Butohaler, Butotal, Butovent, Dilatamol, Farcolin, Gerivent, Grafalin, Libretin, Medolin, Parasma, Pneumolat, Respolin, Sabutal, Salbetol, Salbron, Salbupur, Salbusian, Salbutan, Salbutol, Salbuven, Sallbupp, Salmaplon, Salomol, Salvent, Suprasma, Theosal, Tobybron, Vencronyl, Ventamol, Zaperin, Bumol, Mozal, Respax, Suxar, Alti-Salbutamol, Broncho-Spray, Salbu-Fatol, Buto-Asma, Asmol Uni-Dose, Salbu-BASF, Volare easi-breathe, Arubendol-Salbutamol, Volare albuterol HFA, ALBUTEROL (+/-), alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol, AH 3365, rac Albuterol, MFCD00148978, Proventil (TN), 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol, alpha'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol, 4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol, DL-N-tert-Butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine, alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol, d,l-Salbutamol, 35763-26-9, Ventalin inhaler, (+/-)-salbutamol, Albuterol [USAN], NCGC00015955-09, Solbutamol, 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol, 1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, 4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol, Salbutamolum [INN-Latin], Eolene, 4-{2-[(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol, (l)-albuterol, Salbutamol-(tert-butyl-d9) acetate, Albuterol (USP), 148563-15-9, Salbutamol (hemisulfate), HSDB 7206, SR-01000075161, Albuterol [USAN:USP], EINECS 242-424-0, UNII-QF8SVZ843E, BRN 2213614, 4-[2-(tert-Butylamino)-1-hydroxy-ethyl]-2-methylol-phenol, Salbutamol RS, Salbutamol CRS, racemic salbutamol, Salamol EB, Prestwick_665, CAS-18559-94-9, Salbutamol Free Base, (R)-Albuterol;(R)-Salbutamol;Levosalbutamol, Salbutamol,(+/-), Venetlin (Salt/Mix), Salbutamol (Standard), Spectrum_000200, Albuterol (hemisulfate);AH-3365 (hemisulfate), ALBUTEROL [MI], Salbutamol [INN:BAN], ALBUTEROL [HSDB], SALBUTAMOL [INN], Prestwick0_000198, Prestwick1_000198, Prestwick2_000198, Prestwick3_000198, Spectrum2_001350, Spectrum4_000887, Spectrum5_001059, ALBUTEROL [VANDF], m-Xylene-alpha,alpha'-diol, alpha-((tert-butylamino)methyl)-4-hydroxy-, CHEMBL714, EC 242-424-0, S 8260, ALBUTEROL [USP-RS], SALBUTAMOL [MART.], SCHEMBL4913, SALBUTAMOL [WHO-DD], SALBUTAMOL [WHO-IP], Lopac0_001090, Lopac0_001098, BSPBio_000155, GTPL558, KBioGR_001294, KBioSS_000680, DivK1c_000943, SPECTRUM1500677, Albuterol - Bio-X trade mark, SPBio_001539, SPBio_002076, BPBio1_000171, orb1309633, orb3025109, SGCUT00011, ALBUTEROL [ORANGE BOOK], SALBUTAMOL [EP IMPURITY], SCHEMBL10025126, SCHEMBL27674053, BCBcMAP01_000116, BDBM25769, HMS502P05, HY-B1037R, KBio1_000943, KBio2_000680, KBio2_003248, KBio2_005816, ALBUTEROL [USP MONOGRAPH], MSK1302, SALBUTAMOL [EP MONOGRAPH], NINDS_000943, Bio1_000446, Bio1_000935, Bio1_001424, HMS1568H17, HMS1921C04, HMS2089I19, HMS2092I08, HMS2095H17, HMS3712H17, HMS3886I08, HMS5084J10, KUC106739N, Pharmakon1600-01500677, ALBB-038670, d,l-Salbutamol, 1mg/ml in Ethanol, HY-B1037, SALBUTAMOLUM [WHO-IP LATIN], to_000081, Tox21_110266, Tox21_200800, CCG-39288, EBC-04430, NSC757417, PDSP1_000623, PDSP2_000620, s5494, SBB066105, 1,3-Benzenedimethanol, alpha1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, AKOS007930174, m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy-, Tox21_110266_1, CS-4556, DB01001, FA61527, KS-5209, NSC 757417, SB19749, SDCCGSBI-0051060.P006, IDI1_000943, SMP1_000268, NCGC00015955-04, NCGC00015955-05, NCGC00015955-06, NCGC00015955-07, NCGC00015955-08, NCGC00015955-10, NCGC00015955-11, NCGC00015955-12, NCGC00015955-13, NCGC00015955-14, NCGC00015955-16, NCGC00015955-28, NCGC00024698-02, NCGC00024698-03, NCGC00024698-04, NCGC00024698-05, NCGC00024698-06, NCGC00024698-07, NCGC00258354-01, AC-10286, BA164143, KSC-11-222-1, Salbutamol 100 microg/mL in Acetonitrile, ST024764, ST075204, ST077150, SBI-0051060.P005, AB00052154, EU-0101090, NS00000415, VU0243312-5, D02147, EN300-365894, F15026, Salbutamol, VETRANAL(TM), analytical standard, AB00052154-08, AB00052154-09, AB00052154_10, AB00052154_11, L000531, Q410358, Q-201695, SR-01000075161-3, SR-01000075161-4, SR-01000075161-5, SR-01000075161-8, BRD-A88254928-001-04-6, BRD-A88254928-001-05-3, BRD-A88254928-001-07-9, BRD-A88254928-065-04-1, SR-01000075161-11, Z2301287926, Salbutamol, British Pharmacopoeia (BP) Reference Standard, Salbutamol, European Pharmacopoeia (EP) Reference Standard, Albuterol, United States Pharmacopeia (USP) Reference Standard, 2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanol, 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol #, |A1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-.alpha.1,.alpha.3-diol, 4-[(1S)-2-(butylamino)-1-hydroxy-isopropyl]-2-(hydroxymethyl)phenol, 4-Hydroxy-3-hydroxymethyl-.alpha.-((tert-butylamino)methyl)benzyl alcohol, alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha1-diol, .alpha.'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol, .alpha.1'-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, hemisulfate, .alpha.1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol, 1,3-Benzenedimethanol, .alpha.(1)-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, 4-[(1S)-1-hydroxy-2-(propylamino)ethyl]-2-(hydroxymethyl)phenol, oxamethane, m-Xylene-.alpha.,.alpha.'-diol, .alpha.'-((tert-butylamino)methyl)-4-hydroxy-, m-Xylene-.alpha.,.alpha.-diol, .alpha.-1-((tert-butylamino)methyl)-4-hydroxy-, (+/-)-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, a1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (S)-, sulfate (2
Theoretical properties:
molecular_formula: C13H21NO3
molecular_weight: 239.31 g/mol
exact_mass: 239.15214353 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 17
topological_polar_surface_area: 72.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to off-white crystalline solid
color: White to off-white crystalline solid
melting_point: 147-149
vapor_pressure: 8.9X10-9 mm Hg at 25 °C /Estimated/
Descriptions:
{"pubchem": "Albuterol is a member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). It has a role as a beta-adrenergic agonist, a bronchodilator agent, a xenobiotic and an environmental contaminant. It is a member of phenylethanolamines, a member of phenols and a secondary amino compound.", "chebi": "A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a <em>tert</em>-butyl group attached to the nirogen atom. It acts as a \u03b2-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).", "chembl": "ALBUTEROL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Salbutamol, also known as albuterol and sold under the brand name Ventolin among others, is a medication that opens up the medium and large airways in the lungs. It is a short-acting \u03b22 adrenergic receptor agonist that causes relaxation of airway smooth muscle. It is used to treat asthma, including asthma attacks and exercise-induced bronchoconstriction, as well as chronic obstructive pulmonary disease (COPD). It may also be used to treat high blood potassium levels. Salbutamol is usually used with an inhaler or nebulizer, but it is also available in a pill, liquid, and intravenous solution. Onset of action of the inhaled version is typically within 15 minutes and lasts for two to six hours.\nCommon side effects include shakiness, headache, fast heart rate, dizziness, and feeling anxious. Serious side effects may include worsening bronchospasm, irregular heartbeat, and low blood potassium levels. Its use during pregnancy and breastfeeding is widespread and there is no evidence to suggest it is unsafe.\nSalbutamol was patented in 1966 in Britain and became commercially available in the United Kingdom in 1969. It was approved for medical use in the United States in 1982. It is on the World Health Organization's List of Essential Medicines. Salbutamol is available as a generic medication. In 2023, it was the seventh most commonly prescribed medication in the United States, with more than 59 million prescriptions."}