Compound: propranolol
SMILES: O(c1c2c(ccc1)cccc2)CC(O)CNC(C)C
InChIKey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
Synonyms: propranolol, 525-66-6, Propanolol, beta-Propranolol, Betalong, Euprovasin, Proprasylyt, Reducor, Propanalol, Anapriline, propranololo, dl-propranolol, Propranololum, 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol, 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol, 9Y8NXQ24VQ, 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol, 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, CHEBI:8499, DTXSID6023525, 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, AY-64043-, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol, RefChem:6170, DTXCID903525, C07AA05, 208-378-0, Propanix, Sawatal, 1-Isopropylamino-3-(naphthalen-1-yloxy)-propan-2-ol, .beta.-Propranolol, 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol, CHEMBL27, 1-(1-Naphthyloxy)-3-(isopropylamino)-2-propanol, 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, rac-Propanolol, Corpendol, Inderol, Pranolol, Propranolol (INN), Racemic propranolol, 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol, 1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol, Betadren, PROPRANOLOL [INN], Inderal hydrochloride, D,L-Propranolol, 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol, 13013-17-7, (+-)-Propranolol, Propranololo [DCIT], Propranalol, Propranolol [INN:BAN], Propanolol [INN-Spanish], Propranololum [INN-Latin], racemic-Propranolol, CCRIS 3082, EINECS 208-378-0, EINECS 235-867-6, UNII-9Y8NXQ24VQ, b-Propranolol, Dociton (Salt/Mix), Inderal (Salt/Mix), Obsidan (Salt/Mix), (+/-)-propranolol, Propanolol,(+/-), PROPRANOLOL, d, Avlocardyl (Salt/Mix), 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)-, PROPANOLOL(-), PROPRANOLOL [MI], Prestwick0_000952, Prestwick1_000952, Prestwick2_000952, Prestwick3_000952, PROPRANOLOL,(+), PROPRANOLOL,(-), Spectrum2_001301, Spectrum2_001699, Spectrum3_000883, Spectrum3_001071, Spectrum4_000974, Spectrum4_001222, Spectrum5_000751, GlyTouCan:G14011UN, (.+/-.)-Propranolol, AY-64043 free base, PROPRANOLOL [VANDF], SCHEMBL3955, (S)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol, Lopac0_000896, Oprea1_304193, BSPBio_000944, BSPBio_002682, CBDivE_006180, GTPL564, KBioGR_001347, KBioGR_001684, KBioGR_002515, KBioSS_002523, PROPRANOLOL [WHO-DD], DivK1c_000023, (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol, SPBio_001361, SPBio_001658, SPBio_003093, (+)-Propranolol hydrochloride; (R)-(+)-Propranolol hydrochloride, 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol, BPBio1_001040, ICI 45520 (Salt/Mix), NSC 91523 (Salt/Mix), SCHEMBL12264958, BDBM25761, HY-B0573B, KBio1_000023, KBio2_002515, KBio2_005083, KBio2_007651, KBio3_001766, KBio3_001902, KBio3_002993, cMAP_000071, NINDS_000023, (A+/-)-Propranolol hydrochloride, [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine, Bio1_000367, Bio1_000856, Bio1_001345, HMS2090L21, HMS3428G03, ALBB-023324, G14011UN, YDA89723, BBL023437, EBC-26351, PDSP1_000767, PDSP1_001607, PDSP1_001608, PDSP2_000755, PDSP2_001591, PDSP2_001592, STK735510, 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)-, AKOS000588816, AKOS016050338, CCG-103643, DB00571, FE-0204, FP27655, SDCCGSBI-0050871.P004, IDI1_000023, NCGC00015798-04, NCGC00015798-05, NCGC00015798-06, NCGC00015798-07, NCGC00015798-08, NCGC00015798-09, NCGC00015798-15, NCGC00015798-19, NCGC00024690-02, NCGC00024690-03, DA-57114, ST024757, SBI-0050871.P003, AB00053537, CS-0069968, NS00000196, EN300-40731, C07407, D08443, G60902, AB00053537-10, AB00053537_11, AB00053537_12, 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol, L000679, Q423364, 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol, 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol, 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol, 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol, BRD-A10070317-003-06-9, BRD-A10070317-003-17-6, BRD-A10070317-003-28-3, BRD-A10070317-003-29-1, BRD-A10070317-003-30-9, 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol, 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane, F0001-3681, 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol, 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol, 1-[(Naphthalen-1-yl)oxy]-3-[(propan-2-yl)amino]propan-2-ol, 1[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol hydrochloride
Theoretical properties:
molecular_formula: C16H21NO2
molecular_weight: 259.34 g/mol
exact_mass: 259.157228913 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 19
topological_polar_surface_area: 41.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Propranolol is a propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. It has a role as an anxiolytic drug, a beta-adrenergic antagonist, a vasodilator agent, an antihypertensive agent, a xenobiotic, an anti-arrhythmia drug, an environmental contaminant and a human blood serum metabolite. It is a member of naphthalenes, a secondary amine and a propanolamine. It is functionally related to a 1-naphthol.", "chebi": "A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.", "chembl": "PROPRANOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Propranolol is a medication of the beta blocker class. It is used to treat high blood pressure, some types of irregular heart rate, thyrotoxicosis, capillary hemangiomas, akathisia, performance anxiety, and essential tremors, as well as to prevent migraine headaches, and to prevent further heart problems in those with angina or previous heart attacks. It can be taken orally, rectally, or by intravenous injection. The formulation that is taken orally comes in short-acting and long-acting versions. Propranolol appears in the blood after 30 minutes and has a maximum effect between 60 and 90 minutes when taken orally.\nCommon side effects include nausea, abdominal pain, and constipation. It may worsen the symptoms of asthma. Propranolol may cause harmful effects for the fetus if taken during pregnancy; however, its use during breastfeeding is generally considered to be safe. It is a non-selective beta blocker which works by blocking \u03b2-adrenergic receptors.\nPropranolol was patented in 1962 and approved for medical use in 1964. It is on the World Health Organization's List of Essential Medicines. Propranolol is available as a generic medication. In 2023, it was the 69th most commonly prescribed medication in the United States, with more than 9 million prescriptions.\n\n"}