IUPAC name
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one
SMILES
CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O
Compound class
Sympatholytics; Adrenergic beta-Antagonists; EENT Preparations; Ophthalmologicals; Sensory Organs; Beta Blocking Agents; Antiglaucoma Preparations and Miotics;
Therapeutic area
For lowering intraocular pressure (IOP) and may be used in patients with chronic open-angle glaucoma or ocular hypertension.
Common name
Levobunolol
IUPAC name
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one
SMILES
CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O
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
FORMULA
C17H25NO3
Common name
Levobunolol
IUPAC name
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one
Molecular weight
291.385
clogP
3.324
clogS
-4.220
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
58.56
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF01177 | (2R)-1-(tert-butylamino)propan-2-ol |
|
C(C(O)C)NC(C)(C)C | 0.0017 |
| FDBF02752 | 5-hydroxytetralin-1-one |
|
Oc1c2c(ccc1)C(=O)CCC2 | 0.0003 |
| FDBF02753 | 5-methoxytetralin-1-one |
|
COc1c2c(ccc1)C(=O)CCC2 | 0.0003 |
| FDBF02755 | 5-[(2S)-2-hydroxypropoxy]tetralin-1-one |
|
CC(O)COc1c2c(ccc1)C(=O)CCC2 | 0.0003 |
