IUPAC name
1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
Compound class
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; EENT Preparations; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the management of hypertension.
Common name
Betaxolol
IUPAC name
1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
INCHI
InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
FORMULA
C18H29NO3
Common name
Betaxolol
IUPAC name
1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
Molecular weight
307.428
clogP
3.689
clogS
-4.230
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
50.72
Number of Rings
2
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF00220 | (2R)-1-phenoxypropan-2-ol |
|
CC(COc1ccccc1)O | 0.0045 |
| FDBF00222 | 1-ethyl-4-methoxy-benzene |
|
COc1ccc(cc1)CC | 0.0038 |
| FDBF00250 | methylcyclopropane |
|
CC1CC1 | 0.0038 |
| FDBF00253 | 2-phenylethanol |
|
c1(ccccc1)CCO | 0.0038 |
| FDBF00254 | 4-(2-hydroxyethyl)phenol |
|
c1(ccc(cc1)O)CCO | 0.0010 |
