IUPAC name
(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILES
CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2
Compound class
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia 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;
Therapeutic area
Used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension.
Common name
Nadolol
IUPAC name
(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILES
CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2
INCHI
InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
FORMULA
C17H27NO4
Common name
Nadolol
IUPAC name
(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
Molecular weight
309.401
clogP
1.855
clogS
-2.712
HBond Acceptor
4
HBond Donor
4
Total Polar Surface Area
81.95
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 |
| FDBF00815 | 2-(tert-butylamino)ethanol |
|
C(CO)NC(C)(C)C | 0.0048 |
| FDBF01177 | (2R)-1-(tert-butylamino)propan-2-ol |
|
C(C(O)C)NC(C)(C)C | 0.0017 |
| FDBF02737 | (2R,3S)-5-methoxytetralin-2,3-diol |
|
COc1c2c(ccc1)CC(C(C2)O)O | 0.0003 |
| FDBF02738 | (2R,3S)-tetralin-2,3-diol |
|
C1(C(Cc2c(cccc2)C1)O)O | 0.0003 |
