Compound: alprenolol
SMILES: O(c1c(cccc1)CC=C)CC(O)CNC(C)C
InChIKey: PAZJSJFMUHDSTF-UHFFFAOYSA-N
Synonyms: alprenolol, 13655-52-2, Alfeprol, Alprenololum, 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol, 1-(2-Allylphenoxy)-3-isopropylamino-2-propanol, 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol, DTXSID0045127, 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-, 877K5MQ27W, NSC-759561, DTXCID8025127, CHEBI:51211, 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, {2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine, alprenololo, AptinDuriles, Aptin Duriles, Aptin-Duriles, (2-hydroxy-3-(2-(prop-2-en-1-yl)phenoxy)propyl)(propan-2-yl)amine, RefChem:388788, H5628, H 56 28, 237-140-9, C07AA01, Alpheprol, Alfeprol [Russian], Alprenololum [INN-Latin], (RS)-Alprenolol;dl-Alprenolol, S-(-)-ALPRENOLOL, Alprenolol (INN), 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-, 122259-67-0, CHEMBL266195, NCGC00015099-05, ALPRENOLOL [INN], Alprenolol [INN:BAN], CAS-13655-52-2, EINECS 237-140-9, Aprenololo, Atenenol, (-)-1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol, UNII-877K5MQ27W, Alprenolol?, MFCD00242735, Spectrum_000168, ALPRENOLOL [MI], Prestwick0_000250, Prestwick1_000250, Prestwick2_000250, Prestwick3_000250, Spectrum2_001814, Spectrum3_001066, Spectrum4_001216, Spectrum5_001414, GlyTouCan:G61306SU, ALPRENOLOL,(+), ALPRENOLOL,(-), ALPRENOLOL [MART.], ALPRENOLOL [WHO-DD], Lopac0_000152, Oprea1_368995, SCHEMBL34636, BSPBio_000040, BSPBio_002652, GTPL563, KBioGR_001652, KBioSS_000648, DivK1c_000015, SPBio_001827, SPBio_002259, BPBio1_000044, orb1689972, orb1703156, SCHEMBL29355107, BDBM25764, KBio1_000015, KBio2_000648, KBio2_003216, KBio2_005784, KBio3_001872, NINDS_000015, 1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol, HMS2089G06, G61306SU, HY-B1517, MSK11099, Tox21_110084, EX-A14957, AKOS016376219, Tox21_110084_1, CCG-204247, CS-5734, DB00866, NSC 759561, SDCCGSBI-0050140.P004, IDI1_000015, NCGC00015099-03, NCGC00015099-04, NCGC00015099-06, NCGC00015099-08, NCGC00015099-09, NCGC00015099-11, NCGC00015099-12, NCGC00015099-16, NCGC00089741-02, NCGC00089741-03, NCGC00089741-04, DA-70730, DA-77607, MS-23533, SBI-0050140.P003, AB00053431, NS00008745, D07156, F85411, AB00053431-13, AB00053431_14, L000961, Q201370, 1-(2-Allylphenoxy)-3-(isopropylamino)-2-propanol #, BRD-A00993607-003-05-5, BRD-A00993607-003-15-4, BRD-A00993607-003-24-6, (RS)-1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol, 1-[(Propan-2-yl)amino]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol, 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-)2-(2-PROPENYL)PHENOXY)-, 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propen-1-yl)phenoxy]-
Theoretical properties:
molecular_formula: C15H23NO2
molecular_weight: 249.35 g/mol
exact_mass: 249.172878976 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 8
heavy_atom_count: 18
topological_polar_surface_area: 41.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 107-109 °C
Descriptions:
pubchem: Alprenolol is a secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and a sympatholytic agent. It is a secondary alcohol and a secondary amino compound.
chebi: A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a β-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.
chembl: ALPRENOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Alprenolol, or alfeprol, alpheprol, and alprenololum (Gubernal, Regletin, Yobir, Apllobal, Aptine, Aptol Duriles), is a non-selective beta blocker as well as a 5-HT1A and 5-HT1B receptor antagonist, used in the treatment of angina pectoris. It is no longer marketed by AstraZeneca, but may still be available from other pharmaceutical companies or generically.