IUPAC name
4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate
SMILES
CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1
Compound class
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective, and Thiazides;
Therapeutic area
Indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open angle glaucoma.
Common name
Metipranolol
IUPAC name
4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate
SMILES
CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1
INCHI
InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3
FORMULA
C17H27NO4
Common name
Metipranolol
IUPAC name
4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate
Molecular weight
309.401
clogP
3.525
clogS
-4.367
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
67.79
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF00214 | (2R)-propane-1,2-diol |
|
CC(CO)O | 0.0100 |
| FDBF00217 | 2-(isopropylamino)ethanol |
|
C(NC(C)C)CO | 0.0086 |
| FDBF00223 | (2S)-1-(isopropylamino)propan-2-ol |
|
C(NC(C)C)C(C)O | 0.0034 |
