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 |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00214 | (2R)-propane-1,2-diol |
|
CC(CO)O | 0.0100 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF00224 | (2R)-1-(4-methylphenoxy)propan-2-ol |
|
CC(COc1ccc(cc1)C)O | 0.0017 |
| FDBF00252 | methoxymethylcyclopropane |
|
COCC1CC1 | 0.0007 |
| FDBF00255 | ethoxymethylcyclopropane |
|
CCOCC1CC1 | 0.0007 |
| FDBF00256 | 2-methoxyethylbenzene |
|
c1(ccccc1)CCOC | 0.0014 |
