Compound: dobutamine
SMILES: Oc1c(O)ccc(c1)CCNC(CCc2ccc(O)cc2)C
InChIKey: JRWZLRBJNMZMFE-UHFFFAOYSA-N
Synonyms: dobutamine, 34368-04-2, Dobutamina, DL-dobutamine, racemic-Dobutamine, Racemic dobutamine, Dobutaminum, rac-dobutamine, Compound 81929, 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol, 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol, COMPOUND-81929, DTXSID3022958, (+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol, CHEBI:4670, DTXCID702958, 3S12J47372, 3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine, 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol, 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, (+-)-, 4-(2-(4-(4-hydroxyphenyl)butan-2-ylamino)ethyl)benzene-1,2-diol, 3,4-dihydroxy-N-(3-(4-hydroxyphenyl)-1-methylpropyl)-beta-phenylethylamine, 4-(2-((4-(4-Hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol, 4-(2-(3-(4-Hydroxy-phenyl)-1-methyl-propylamino)-ethyl)-benzene-1,2-diol, Dobutamin ratiopharm, Tartrate, Dobutamine, Hydrobromide, Dobutamine, Lactobionate, Dobutamine, RefChem:56520, C01CA07, 112-679-1, CHEMBL926, MFCD00072085, Dobutaminum [INN-Latin], Dobutamina [INN-Spanish], Dobutamine [USAN], NCGC00015321-04, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-1,2-benzenediol, (+/-)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol, 4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol, CAS-34368-04-2, (+/-)-dobutamine, LY 81929, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-1,2-BENZENEDIOL, Dobutamine [USAN:USP:INN:BAN], UNII-3S12J47372, 1,2-BENZENEDIOL, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-, DOBUTAMINE [MI], DOBUTAMINE [INN], Dobutamine (USAN/INN), Prestwick0_000352, Prestwick1_000352, Prestwick2_000352, Prestwick3_000352, DOBUTAMINE [VANDF], DOBUTAMINE [WHO-DD], Lopac0_000365, SCHEMBL21237, BSPBio_000443, GTPL535, cid_36811, SPBio_002364, BPBio1_000489, orb1689351, SCHEMBL29929447, DOBUTAMINE [USP IMPURITY], HMS2089K05, Tox21_110126, BBL033719, BDBM50325274, EBC-26536, EX-A15354, HY-15746A, STL373008, 4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol, AKOS025248013, Tox21_110126_1, CCG-204460, DB00841, FR72007, SDCCGSBI-0050353.P002, NCGC00015321-03, NCGC00015321-05, NCGC00015321-06, NCGC00015321-07, NCGC00015321-08, NCGC00015321-09, NCGC00015321-11, NCGC00015321-18, NCGC00024629-02, NCGC00024629-03, SY373107, VS-12236, CS-0013581, NS00007916, C06967, D03879, EN300-18539446, L001157, Q422782, SR-01000075265-9, BRD-A78322124-003-03-3, BRD-A78322124-003-14-0, BRD-A78322124-003-15-7, 4-[2-[[4-(4-Hydroxyphenyl)-2-butyl]amino]ethyl]benzene-1,2-diol, 4-(2-([3-(4-Hydroxyphenyl)-1-methylpropyl]amino)ethyl)-1,2-benzenediol #, (.+/-.)-4-[2-[[3-(p-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]pyrocatechol, 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, (.+/-.)-, 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol(Dobutamine), 1,2-BENZENEDIOL, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-, (+/-)-
Theoretical properties:
molecular_formula: C18H23NO3
molecular_weight: 301.4 g/mol
exact_mass: 301.16779360 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 7
heavy_atom_count: 22
topological_polar_surface_area: 72.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 184-186
solubility: 1.37e-02 g/L
Descriptions:
{"pubchem": "Dobutamine is a catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure. It has a role as a beta-adrenergic agonist, a sympathomimetic agent and a cardiotonic drug. It is a secondary amine and a catecholamine.", "chebi": "A  catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A \u03b2<small><sub>1</sub></small>-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.", "chembl": "DOBUTAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Dobutamine is a medication used in the treatment of cardiogenic shock (as  a result of inadequate tissue perfusion) and severe heart failure. It may also be used in certain types of cardiac stress tests. It is given by IV only, as an injection into a vein or intraosseous as a continuous infusion. The amount of medication needs to be adjusted to the desired effect. Onset of effects is generally seen within 2 minutes. It has a half-life of two minutes. This drug is generally only administered short term, although it may be used for longer periods to relieve symptoms of heart failure in patients awaiting heart transplantation.  \nCommon side effects include a fast heart rate, an irregular heart beat, and inflammation at the site of injection. Use is not recommended in those with idiopathic hypertrophic subaortic stenosis. It primarily works by direct stimulation of \u03b21 receptors, which increases the strength of the heart's contractions, leading to a positive inotropic effect. Generally it has little effect on a person's heart rate.\nDobutamine was approved for medical use in the United States in 1978. It is available as a generic medication. It was initially made from isoproterenol."}