Compound: BOPINDOLOL
SMILES: O=C(OC(COc1c2c([nH]c(c2)C)ccc1)CNC(C)(C)C)c3ccccc3
InChIKey: UUOJIACWOAYWEZ-UHFFFAOYSA-N
Synonyms: BOPINDOLOL, 62658-63-3, (+-)-Bopindolol, Bopindololum, DTXSID6022684, KT304VZO57, DTXCID402684, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)-, benzoate (ester), (+-)-, RefChem:569816, CHEBI:76749, C07AA17, 1-(tert-butylamino)-3-((2-methylindo)-4-yl)-2-propanol benzoate, rac Bopindolol, Bopindolol [INN], 1-(tert-Butylamino)-3-((2-methyl-1H-indol-4-yl)oxy)propan-2-yl benzoate, C23H28N2O3, [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate, 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate, Bopindolol (INN), (+/-)-Bopindolol, NCGC00163155-01, Bopindololum [INN-Latin], CAS-62658-63-3, 69010-88-4, UNII-KT304VZO57, ()-Bopindolol, 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, 2-benzoate; 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester) (9CI); 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester), (+/-)-; (+/-)-Bopindolol; Bopindolol; rac Bopindolol, BOPINDOLOL [MI], (+-)-4-(2-Benzoyloxy-3-tert-butylaminopropoxy)-2-methylindole, (+-)-1-(tert-Butylamino)-3-((2-methylindol-4-yl)oxy)-2-propanol benzoate (ester), 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester), BOPINDOLOL [WHO-DD], SCHEMBL49500, (+-)-1-((1,1-Dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)-2-propanol benzoate (ester), MLS003882860, Bopindolol, Bopindolol Maleate, CHEMBL357995, orb1685292, SCHEMBL29583281, CHEBI:143782, HMS2089O20, HY-B1562, Tox21 112017, Tox21_112017, EX-A10883, AKOS016014321, Tox21_112017_1, DB08807, FB37307, NCGC00163155-02, NCGC00263654-01, DA-71678, LT-31200, SMR001550598, CS-0013446, NS00003299, D07537, AB01275452-01, L013383, Q834660, SR-05000001453, SR-05000001453-1, BRD-A07563059-035-01-3, 4-(2-benzoyloxy-3-t-butylamino-propoxy) -2-methyl indole, 4-(2-Benzoyloxy-3-tert.butylaminopropoxy)-2-methyl-indole, 2-(tert-Butylamino)-1-{[(2-methyl-1H-indol-4-yl)oxy]methyl}ethyl benzoate, (+/-)-1-(TERT-BUTYLAMINO)-3-((2-METHYLINDOL-4-YL)OXY)-2-PROPANOL BENZOATE (ESTER), [1-[(tert-butylamino)methyl]-2-[(2-methyl-1H-indol-4-yl)oxy]ethyl] benzoate, 2-[(1,1-dimethylethyl)amino]-1-{[(2-methyl-1H-indol-4-yl)oxy]methyl}ethyl benzoate, 1-((1,1-DIMETHYLETHYL)AMINO)-3-((2-METHYL-1H-INDOL-4-YL)OXY)-2-PROPANOL BENZOATE ESTER
Theoretical properties:
molecular_formula: C23H28N2O3
molecular_weight: 380.5 g/mol
exact_mass: 380.20999276 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 9
heavy_atom_count: 28
topological_polar_surface_area: 63.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 152–153 [malonate salt]
Descriptions:
pubchem: 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate is a methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group. It is an aromatic ether, a benzoate ester, a methylindole and a secondary amino compound.
chebi: A methylindole that is 2-methyl-1<em>H</em>-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(<em>tert</em>-butylamino)propyl group.
chembl: BOPINDOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Bopindolol (INNTooltip International Nonproprietary Name), sold under the brand name Sandonorm among others, is a beta blocker used to treat hypertension. It has been marketed in a number of countries throughout the world, for instance in Europe.