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 |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00216 | 4-ethylphenol |
|
Oc1ccc(cc1)CC | 0.0045 |
| FDBF00217 | 2-(isopropylamino)ethanol |
|
C(NC(C)C)CO | 0.0086 |
| FDBF00221 | 2-(4-methylphenoxy)ethanol |
|
C(Oc1ccc(cc1)C)CO | 0.0021 |
| FDBF00223 | (2S)-1-(isopropylamino)propan-2-ol |
|
C(NC(C)C)C(C)O | 0.0034 |
| FDBF00251 | cyclopropylmethanol |
|
C(C1CC1)O | 0.0017 |
| FDBF00257 | 2-(4-methoxyphenyl)ethanol |
|
O(c1ccc(cc1)CCO)C | 0.0007 |
| FDBF00258 | 4-(2-methoxyethyl)phenol |
|
c1(ccc(cc1)O)CCOC | 0.0014 |
| FDBF00259 | cyclopropane |
|
C1CC1 | 0.0175 |
