IUPAC name
1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12
Compound class
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the prophylaxis of migraine.
Common name
Propranolol
IUPAC name
1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12
INCHI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
FORMULA
C16H21NO2
Common name
Propranolol
IUPAC name
1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol
Molecular weight
259.343
clogP
3.040
clogS
-3.915
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
41.49
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00094 | (2S)-propane-1,2-diol |
|
C(O)(CO)C | 0.0065 |
| FDBF00217 | 2-(isopropylamino)ethanol |
|
C(NC(C)C)CO | 0.0086 |
| FDBF01042 | 1-methoxynaphthalene |
|
COc1c2c(ccc1)cccc2 | 0.0007 |
| FDBF01289 | 2-(1-naphthyloxy)ethanol |
|
C(Oc1c2c(ccc1)cccc2)CO | 0.0003 |
| FDBF01291 | (2S)-1-(1-naphthyloxy)propan-2-ol |
|
C(Oc1c2c(ccc1)cccc2)C(C)O | 0.0003 |
