Compound: LEVOBUNOLOL
SMILES: O=C1c2c(c(OC[C@@H](O)CNC(C)(C)C)ccc2)CCC1
InChIKey: IXHBTMCLRNMKHZ-LBPRGKRZSA-N
Synonyms: LEVOBUNOLOL, 47141-42-4, Levobunololum, (-)-Bunolol, Bunolol, (s)-, Bunolol, (-)-, G6317AOI7K, (S)-5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone, CHEBI:6438, DTXSID1043833, 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one, 1(2H)-Naphthalenone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-, (S)-, levobunololo, ApoLevobunolol, NovoLevobunolol, PMSLevobunolol, Apo Levobunolol, Novo Levobunolol, PMS Levobunolol, ratio Levobunolol, 5-((2S)-3-(tert-butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-one, RefChem:55471, DTXCID9023833, S01ED03, Levobunololum [INN-Latin], Levobunolol (INN), 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one, LEVOBUNOLOL [INN], Levobunolol [INN:BAN], 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one, CCRIS 4375, NCGC00016801-01, CAS-27912-14-7, UNII-G6317AOI7K, beta-site, LEVOBUNOLOL [MI], Prestwick0_000847, Prestwick1_000847, Prestwick2_000847, Prestwick3_000847, GlyTouCan:G15967FV, LEVOBUNOLOL [VANDF], SCHEMBL24095, BSPBio_000833, LEVOBUNOLOL [WHO-DD], SPBio_002754, BPBio1_000917, orb1696507, CHEMBL1201237, HY-B1035A, IXHBTMCLRNMKHZ-LBPRGKRZSA-N, G15967FV, EBC-26482, AKOS016012242, DB01210, NCGC00016801-02, NCGC00016801-03, NCGC00016801-09, CAS-47141-41-3, CS-0013643, NS00003536, C07914, D08115, EN300-18563037, Q408556, BRD-K31812033-003-03-7, BRD-K31812033-003-10-2, BRD-K31812033-003-11-0, (-)-(S)-5-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE
Theoretical properties:
molecular_formula: C17H25NO3
molecular_weight: 291.4 g/mol
exact_mass: 291.18344366 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 6
heavy_atom_count: 21
topological_polar_surface_area: 58.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 209-211 °C
solubility: 2.51e-01 g/L
Descriptions:
pubchem: Levobunolol is a cyclic ketone that is 3,4-dihydronaphthalen-1-one substituted at position 5 by a 3-(tert-butylamino)-2-hydroxypropoxy group (the S-enantiomer). A non-selective beta-adrenergic antagonist used (as its hydrochloride salt) for treatment of glaucoma. It has a role as a beta-adrenergic antagonist and an antiglaucoma drug. It is a propanolamine, an aromatic ether and a cyclic ketone. It is a conjugate base of a levobunolol(1+). It derives from a hydride of a tetralin.
chebi: A cyclic ketone that is 3,4-dihydronaphthalen-1-one substituted at position 5 by a 3-(<em>tert</em>-butylamino)-2-hydroxypropoxy group (the <i>S</i>-enantiomer). A non-selective β-adrenergic antagonist used (as its hydrochloride salt) for treatment of glaucoma.
chembl: LEVOBUNOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Levobunolol (trade names AKBeta, Betagan, Vistagan, among others) is a non-selective beta blocker. It is used topically in the form of eye drops to manage ocular hypertension (high pressure in the eye) and open-angle glaucoma.