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 |
|---|---|---|---|---|
| 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 |
| FDBF01177 | (2R)-1-(tert-butylamino)propan-2-ol |
|
C(C(O)C)NC(C)(C)C | 0.0017 |
| FDBF03661 | 2-chloro-5-methyl-phenol |
|
Clc1c(cc(cc1)C)O | 0.0003 |
| FDBF03663 | 2-(2-chloro-5-methyl-phenoxy)ethanol |
|
C(CO)Oc1c(ccc(c1)C)Cl | 0.0003 |
| FDBF03664 | (2S)-1-(2-chloro-5-methyl-phenoxy)propan-2-ol |
|
C(C(C)O)Oc1c(ccc(c1)C)Cl | 0.0003 |
16 ,
2
