Salbutamol

CAS Number: 18559-94-9

Molecular Mass: 239.31 g/mol

Formula: C₁₃H₂₁NO₃

Smiles: CC(C)(C)NCC(O)c1ccc(O)c(CO)c1

Synonymes:

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, 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

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	283.15	-	2.877	[341]
1-Butanol	288.15	-	3.158	[341]
1-Butanol	293.15	-	3.515	[341]
1-Butanol	298.15	-	3.94	[341]
1-Butanol	303.15	-	4.36	[341]
1-Butanol	308.15	-	4.823	[341]
1-Butanol	313.15	-	5.433	[341]
1-Butanol	318.15	-	5.974	[341]
1-Butanol	323.15	-	6.66	[341]
1-Butanol	328.15	-	7.401	[341]
1-Propanol	283.15	-	6.878	[341]
1-Propanol	288.15	-	7.565	[341]
1-Propanol	293.15	-	8.582	[341]
1-Propanol	298.15	-	10.12	[341]
1-Propanol	303.15	-	11.46	[341]
1-Propanol	308.15	-	13.06	[341]
1-Propanol	313.15	-	15.11	[341]
1-Propanol	318.15	-	17.32	[341]
1-Propanol	323.15	-	19.8	[341]
1-Propanol	328.15	-	23.09	[341]
2-Butanol	283.15	-	2.693	[341]
2-Butanol	288.15	-	3.023	[341]
2-Butanol	293.15	-	3.404	[341]
2-Butanol	298.15	-	3.761	[341]
2-Butanol	303.15	-	4.209	[341]
2-Butanol	308.15	-	4.67	[341]
2-Butanol	313.15	-	5.166	[341]
2-Butanol	318.15	-	5.776	[341]
2-Butanol	323.15	-	6.377	[341]
2-Butanol	328.15	-	7.195	[341]
Acetone	283.15	-	0.4825	[341]
Acetone	288.15	-	0.5317	[341]
Acetone	293.15	-	0.6024	[341]
Acetone	298.15	-	0.6825	[341]
Acetone	303.15	-	0.7609	[341]
Acetone	308.15	-	0.8639	[341]
Acetone	313.15	-	0.9553	[341]
Acetone	318.15	-	1.086	[341]
Acetone	323.15	-	1.234	[341]
Acetone	328.15	-	1.395	[341]
Ethanol	283.15	-	9.073	[341]
Ethanol	288.15	-	9.434	[341]
Ethanol	293.15	-	11.14	[341]
Ethanol	298.15	-	13.21	[341]
Ethanol	303.15	-	16.79	[341]
Ethanol	308.15	-	19.86	[341]
Ethanol	313.15	-	23.62	[341]
Ethanol	318.15	-	28.46	[341]
Ethanol	323.15	-	33.83	[341]
Ethanol	328.15	-	41.11	[341]
Ethyl acetate	283.15	-	0.4588	[341]
Ethyl acetate	288.15	-	0.5024	[341]
Ethyl acetate	293.15	-	0.5651	[341]
Ethyl acetate	298.15	-	0.6342	[341]
Ethyl acetate	303.15	-	0.7	[341]
Ethyl acetate	308.15	-	0.7742	[341]
Ethyl acetate	313.15	-	0.8639	[341]
Ethyl acetate	318.15	-	0.9428	[341]
Ethyl acetate	323.15	-	1.06	[341]
Ethyl acetate	328.15	-	1.167	[341]
Isobutanol	283.15	-	4.038	[341]
Isobutanol	288.15	-	4.487	[341]
Isobutanol	293.15	-	4.986	[341]
Isobutanol	298.15	-	5.605	[341]
Isobutanol	303.15	-	6.234	[341]
Isobutanol	308.15	-	6.954	[341]
Isobutanol	313.15	-	7.744	[341]
Isobutanol	318.15	-	8.68	[341]
Isobutanol	323.15	-	9.715	[341]
Isobutanol	328.15	-	10.85	[341]
Isopropanol	283.15	-	5.875	[341]
Isopropanol	288.15	-	6.474	[341]
Isopropanol	293.15	-	7.655	[341]
Isopropanol	298.15	-	8.674	[341]
Isopropanol	303.15	-	10.29	[341]
Isopropanol	308.15	-	11.81	[341]
Isopropanol	313.15	-	13.56	[341]
Isopropanol	318.15	-	15.66	[341]
Isopropanol	323.15	-	18.17	[341]
Isopropanol	328.15	-	21.15	[341]
Methanol	283.15	-	36.0	[341]
Methanol	288.15	-	40.16	[341]
Methanol	293.15	-	44.37	[341]
Methanol	298.15	-	48.81	[341]
Methanol	303.15	-	53.56	[341]
Methanol	308.15	-	58.92	[341]
Methanol	313.15	-	65.1	[341]
Methanol	318.15	-	71.71	[341]
Methanol	323.15	-	79.18	[341]
Methanol	328.15	-	87.59	[341]
Methyl acetate	283.15	-	1.154	[341]
Methyl acetate	288.15	-	1.25	[341]
Methyl acetate	293.15	-	1.331	[341]
Methyl acetate	298.15	-	1.412	[341]
Methyl acetate	303.15	-	1.515	[341]
Methyl acetate	308.15	-	1.611	[341]
Methyl acetate	313.15	-	1.731	[341]
Methyl acetate	318.15	-	1.836	[341]
Methyl acetate	323.15	-	1.972	[341]
Methyl acetate	328.15	-	2.11	[341]

Molecule 3D descriptors

Descriptor	Value
PMI1	725.0184
PMI2	2182.3920
PMI3	2271.9684
NPR1	0.3191
NPR2	0.9606
RadiusOfGyration	3.2896
InertialShapeFactor	0.0013
Eccentricity	0.9477
Asphericity	0.3374
SpherocityIndex	0.3781
PBF	1.0179