IUPAC name
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1
Compound class
Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective;
Therapeutic area
For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation.
Common name
Bopindolol
IUPAC name
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1
INCHI
InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
FORMULA
C23H28N2O3
Common name
Bopindolol
IUPAC name
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
Molecular weight
380.480
clogP
4.967
clogS
-6.313
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
63.35
Number of Rings
3
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF01299 | 2-hydroxyethyl formate |
|
OCCOC=O | 0.0017 |
| FDBF01683 | 2-aminoethyl formate |
|
C(COC=O)N | 0.0027 |
| FDBF03657 | 2-methyl-1H-indol-4-ol |
|
[nH]1c2c(c(ccc2)O)cc1C | 0.0003 |
| FDBF03658 | 4-methoxy-2-methyl-1H-indole |
|
COc1c2c([nH]c(c2)C)ccc1 | 0.0003 |
| FDBF03659 | [(1R)-2-hydroxy-1-methyl-ethyl] formate |
|
C(O)C(C)OC=O | 0.0003 |
| FDBF03660 | [(1S)-2-amino-1-methyl-ethyl] formate |
|
CC(CN)OC=O | 0.0003 |
16 ,
2
