Compound: acebutolol
SMILES: O=C(Nc1cc(c(OCC(O)CNC(C)C)cc1)C(=O)C)CCC
InChIKey: GOEMGAFJFRBGGG-UHFFFAOYSA-N
Synonyms: acebutolol, 37517-30-9, Acetobutolol, Acebutololo, Acebutololum, (+-)-Acebutolol, 5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone, CHEBI:2379, C07AB04, 67P356D8GH, N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide, 3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide, DTXSID2048539, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide, N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide, N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]butanamide, Butanamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-,monohydrochloride,(+-)-, M & B 17803A, NovoAcebutolol, ApoAcebutolol, Apo Acebutolol, Novo Acebutolol, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide, N-(3-acetyl-4-(2-hydroxy-3-((propan-2-yl)amino)propoxy)phenyl)butanamide, N-(3-acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butanamide, N-(3-acetyl-4-(2-hydroxy-3-((propan-2-yl)amino)propoxy)phenyl)butanimidic acid, N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanimidic acid, RefChem:53842, DTXCID8028006, M&B17803 A, M&B 17803 A, 253-539-0, dl-Acebutolol, N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide, N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide, MFCD00599435, 1-(2-Acetyl-4-n-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane, Acebrutololum, N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide, 28197-63-9, Acebutololum [INN-Latin], Acebrutololum [INN-Latin], Acetobutolol [INN-Spanish], Acebutolol [USAN:INN:BAN], S-Acebutolol-d7, Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (.+/-.)-, Butanamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (+/-)-acebutolol, CCRIS 9214, RP 21823, Acebutolol (USAN/INN), EINECS 253-539-0, BRN 2162244, UNII-67P356D8GH, 3'-Acetyl-4'-(2-hydroxy-3-isopropylaminopropoxy)butyranilid, 3'-(Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide, (+-)-3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide, (+-)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide, Sectral (Salt/Mix), Wesfalin (Salt/Mix), Spectrum_000491, ACEBUTOLOL [MI], ACEBUTOLOL [INN], Prestwick0_000069, Prestwick1_000069, Prestwick2_000069, Prestwick3_000069, Spectrum2_001340, Spectrum3_000573, Spectrum4_000802, Spectrum5_001399, (.+/-.)-Acebutolol, ACEBUTOLOL [USAN], GlyTouCan:G66098YQ, ACEBUTOLOL [VANDF], CHEMBL642, Epitope ID:146105, ACEBUTOLOL [MART.], SCHEMBL3772, ACEBUTOLOL [WHO-DD], BSPBio_000257, BSPBio_001986, KBioGR_001283, KBioSS_000971, DivK1c_000612, SPBio_001499, SPBio_002178, BPBio1_000283, GTPL7107, IL 17803A (Salt/Mix), Discontinued. See: A123800, SCHEMBL29356808, BDBM25755, KBio1_000612, KBio2_000971, KBio2_003539, KBio2_006107, KBio3_001486, NINDS_000612, G66098YQ, TCA10781, TCA10782, EBC-26637, EX-A11948, AKOS015963037, AT39841, DB01193, DS-3129, Butanamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (+-)-, IDI1_000612, NCGC00018215-02, HY-17497, SBI-0051584.P003, DB-069556, AB00053574, CS-0009240, NS00006043, C06803, D02338, AB00053574_13, AB00053574_14, EN300-7398930, L000998, Q418857, BRD-A29260609-003-05-4, BRD-A29260609-003-15-3, BRD-A29260609-003-25-2, BRD-A29260609-003-26-0, (.+/-.)-3'-Acetyl-4'-[2-hydroxy-3-(isopropylamino)propoxy]butyranilide, N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)-propoxy)phenyl)butyramide, N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide #, (+/-)-3'-ACETYL-4'-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)BUTYRANILIDE, (.+/-.)-3'-Acetyl-4'-[2-hydroxy-3-(1-methylethylamino)propoxy]butyranilide, (.+/-.)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide, BUTANAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, (+/-)-
Theoretical properties:
molecular_formula: C18H28N2O4
molecular_weight: 336.4 g/mol
exact_mass: 336.20490738 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 10
heavy_atom_count: 24
topological_polar_surface_area: 87.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 136-138
Descriptions:
pubchem: Acebutolol is an ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. It has a role as a sympathomimetic agent, a beta-adrenergic antagonist, an antihypertensive agent and an anti-arrhythmia drug. It is a member of ethanolamines, an ether, a monocarboxylic acid amide, a propanolamine, a secondary amino compound and an aromatic amide. It is a conjugate base of an acebutolol(1+).
chebi: An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.
chembl: ACEBUTOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Acebutolol, sold under the brand names Sectral among others, is a beta blocker for the treatment of hypertension and arrhythmias. Acebutolol is a cardioselective beta-1 blocker and has intrinsic sympathetic activity. It is commonly used in the treatment of angina. 
It was patented in 1967 and approved for medical use in 1973.