levobunolol   

GtoPdb Ligand ID: 570

Synonyms: (-)-bunolol | Ak-beta® | BRN 1887243 | L-bunolol | Liquifilm® | W-6421A
levobunolol is an approved drug (FDA (1985))
Compound class: Synthetic organic
Comment: Levobunolol is a nonselective β-adrenoceptor antagonist.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 58.56
Molecular weight 291.18
XLogP 2.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(COc1cccc2c1CCCC2=O)CNC(C)(C)C
Isomeric SMILES O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C
InChI InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChI Key IXHBTMCLRNMKHZ-LBPRGKRZSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1985))
IUPAC Name
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
International Nonproprietary Names
INN number INN
4706 levobunolol
Synonyms
(-)-bunolol | Ak-beta® | BRN 1887243 | L-bunolol | Liquifilm® | W-6421A
Database Links
CAS Registry No. 27591-01-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1201237
DrugBank Ligand DB01210
DrugCentral Ligand 431
GtoPdb PubChem SID 135650031
PubChem CID 39468
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Wikipedia Levobunolol