Compound: isoproterenol
SMILES: Oc1c(O)ccc(c1)C(O)CNC(C)C
InChIKey: JWZZKOKVBUJMES-UHFFFAOYSA-N
Synonyms: isoproterenol, Isoprenaline, 7683-59-2, Isopropydrin, Aludrine, Novodrin, Asiprenol, Assiprenol, Bellasthman, Isoprenalin, Respifral, Asmalar, Neodrenal, Proternol, neo-Epinine, Isonorin, Isorenin, Saventrine, Isopropylarterenol, N-Isopropylnoradrenaline, Isopropyladrenaline, N-Isopropylnorepinephrine, Isupren, Isopropylnorepinephrine, Vapo-N-iso, Isopropylnoradrenaline, (+-)-Isoproterenol, Isopropyl noradrenaline, Isoprenalina, Isoprenalinum, Aleudrin, Epinephrine isopropyl homolog, (+-)-Isoprenaline, 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol, 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol, 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethanol, alpha-(Isopropylaminomethyl)protocatechuyl alcohol, 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, N-Isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine, NSC-9975, NSC-33791, 4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol, 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, DTXSID4023175, L628TT009W, 3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol, DTXCID603175, 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, CHEBI:64317, 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol, Isadrin, 4-(1-hydroxy-2-(propan-2-ylamino)ethyl)benzene-1,2-diol, 4-(1-hydroxy-2-((propan-2-yl)amino)ethyl)benzene-1,2-diol, Isoproterenol dl-, Noradrenaline, Isopropyl, RefChem:55417, C01CA02, R03AB02, R03CB01, 231-687-7, Isadrine, Isonorene, Lomupren, DL-ISOPROTERENOL, Racemic isoprenaline, dl-Isadrine, Racemic isoproterenol, Aleudrine, Dihydroxyphenylethanolisopropylamine, WIN 5162, 149-53-1, ICI 46399, 4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol, Isoprenaline (INN), Isoprenaline [INN], CHEMBL434, Isoproterenolum, Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol, NSC33791, NCGC00015558-06, 3,4-Dihydroxy-.alpha.-(isopropylaminomethyl)-benzyl alcohol, A-21, Isoproterenol [JAN], Protocatechuyl alcohol,-, DL(+-)-Isoproterenol, Isoprenalinum [INN-Latin], .alpha.-(Isopropylaminomoethyl)protocatechuyl alcohol, Isoprenalina [INN-Spanish], 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol, Isoproterenol Chloride, WLN: QR BQ DYQ1MY1&1, 3,4-Dihydroxy-.alpha.-[(isopropylamino)methyl]benzyl alcohol, CAS-7683-59-2, ISOPROP, CCRIS 3081, NSC 9975, 1, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, EINECS 231-687-7, NSC 33791, Isopropylaminomethyl-3,4-dihydroxyphenyl carbinol, BRN 2213857, 4-{1-hydroxy-2-[(methylethyl)amino]ethyl}benzene-1,2-diol, Benzyl alcohol,4-dihydroxy-.alpha.-[(isopropylamino)methyl]-, Isoproterenol-l, UNII-L628TT009W, 3,4-DIHYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)BENZYL ALCOHOL, 7683-59-2 (free), Isoproterenol (-), Isoproterenol,(+), Protocatechuyl alcohol, alpha-(isopropylaminomethyl)-, ISOPROTERONOL, Isoproterenol dl-form, Isuprel (Salt/Mix), Izadrin (Salt/Mix), Euspiran (Salt/Mix), L-Isoproterenol; Levisoprenaline; Proternol L, (+/-)-isoprenaline, (+/-)-isoproterenol, Spectrum_000949, 114-45-4, Prestwick0_001097, Prestwick1_001097, Prestwick2_001097, Spectrum2_001061, Spectrum3_000474, Spectrum4_000024, Spectrum5_000880, (.+/-.)-Isoprenaline, ISOPROTERENOL [MI], (.+/-.)-Isoproterenol, SCHEMBL4165, DL(.+/-.)-Isoproterenol, Lopac0_000711, Oprea1_009434, BSPBio_002208, GTPL536, ISOPRENALINE [MART.], ISOPROTERENOL [VANDF], KBioGR_000427, KBioSS_001429, 3-13-00-02387 (Beilstein Handbook Reference), DivK1c_000894, ISOPRENALINE [WHO-DD], SPBio_001042, SPBio_003057, orb1705072, SGCUT00015, 4-(1-Hydroxy-2(isopropylamino)ethyl)-benzene 1,2-diol, 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol, SCHEMBL29386243, BDBM25392, KBio1_000894, KBio2_001429, KBio2_003997, KBio2_006565, KBio3_001428, NSC9975, NINDS_000894, HMS2089A12, HMS3742A11, ISOPROTERENOL DL-FORM [MI], 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol, Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, to_000062, (A+/-)-Isoproterenol hydrochloride, Tox21_110172, EBC-26208, PDSP1_001425, PDSP2_001409, SBB005855, STL558077, AKOS015913894, Tox21_110172_1, CCG-204727, CCG-204796, DB01064, SDCCGSBI-0050620.P003, SDCCGSBI-0050689.P005, IDI1_000894, NCGC00015558-04, NCGC00015558-05, NCGC00015558-07, NCGC00015558-08, NCGC00015558-09, NCGC00015558-10, NCGC00015558-11, NCGC00015558-12, NCGC00015558-13, NCGC00015558-14, NCGC00015558-25, NCGC00016665-02, NCGC00025274-03, NCGC00025274-04, NCGC00162220-01, ST077771, TS-08150, SBI-0050689.P004, HY-108353, CS-0028436, NS00001320, C07056, D08090, EN300-148243, AB00053487-09, AB00053487-10, AB00053487_11, AB00053487_12, AG-219/03618046, L000936, Q415550, .alpha.-(Isopropylaminomethyl)protocatechuyl alcohol, BRD-A04322457-003-15-3, BRD-A04322457-003-16-1, BRD-A04322457-003-17-9, BRD-A04322457-003-18-7, Protocatechuyl alcohol,.alpha.-(isopropylamino-methyl),-, 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol #, N-Isopropyl-.beta.-dihydroxyphenyl-.beta.-hydroxyethylamine, 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;hydrochloride, 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, 2, Benzyl alcohol, 3,4-dihydroxy-.alpha.-((isopropylamino)methyl)-, 110537-43-4
Theoretical properties:
molecular_formula: C11H17NO3
molecular_weight: 211.26 g/mol
exact_mass: 211.12084340 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 72.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 5.86e+00 g/L
Descriptions:
{"pubchem": "Isoprenaline is a secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders. It has a role as a beta-adrenergic agonist, a bronchodilator agent, a sympathomimetic agent and a cardiotonic drug. It is a member of catechols, a secondary alcohol and a secondary amino compound.", "chebi": "A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on \u03b2-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.", "chembl": "ISOPROTERENOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Isoprenaline, also known as isoproterenol and sold under the brand name Isuprel among others, is a sympathomimetic medication which is used in the treatment of acute bradycardia (slow heart rate), heart block, and rarely for asthma, among other indications. It is used by injection into a vein, muscle, fat, or the heart, by inhalation, and in the past under the tongue or into the rectum.\nSide effects of isoprenaline include rapid heart beat, heart palpitations, and arrhythmias, among others. Isoprenaline is a selective agonist of the \u03b2-adrenergic receptors, including both the \u03b21- and \u03b22-adrenergic receptors. By activating these receptors, it increases heart rate and the force of heart contractions. Chemically, isoprenaline is a synthetic catecholamine and is the N-isopropyl analogue of norepinephrine (noradrenaline) and epinephrine (adrenaline).\nIsoprenaline was one of the first synthetic sympathomimetic amines and was the first selective \u03b2-adrenergic receptor agonist. The medication was discovered in 1940 and was introduced for medical use in 1947."}