IUPAC name
1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
SMILES
CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1
Compound class
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective;
Therapeutic area
Used to manage hypertension and tachycardia. Also used to treat glaucoma.
Common name
Bupranolol
IUPAC name
1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
SMILES
CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1
INCHI
InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
FORMULA
C14H22ClNO2
Common name
Bupranolol
IUPAC name
1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
Molecular weight
271.783
clogP
3.288
clogS
-4.232
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
41.49
Number of Rings
1
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF00094 | (2S)-propane-1,2-diol |
|
C(O)(CO)C | 0.0065 |
| FDBF00205 | 1-chloro-4-methyl-benzene |
|
Cc1ccc(cc1)Cl | 0.0113 |
| FDBF00814 | N,2-dimethylpropan-2-amine |
|
CNC(C)(C)C | 0.0058 |
| FDBF00815 | 2-(tert-butylamino)ethanol |
|
C(CO)NC(C)(C)C | 0.0048 |
| FDBF03662 | 1-chloro-2-methoxy-4-methyl-benzene |
|
COc1c(ccc(c1)C)Cl | 0.0003 |
16 ,
2
