IUPAC name
1-({4-[(3-methylphenyl)amino]pyridin-3-yl}sulfonyl)-3-(propan-2-yl)urea
SMILES
CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1
Compound class
Antihypertensive Agents; Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Cardiovascular System; Sulfonamides, Plain; High-Ceiling Diuretics; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers;
Therapeutic area
For the treatment of edema associated with congestive heart failure, renal disease, or hepatic disease. Also for the treatment of hypertension alone or in combination with other antihypertensive agents.
Common name
Torasemide
IUPAC name
1-({4-[(3-methylphenyl)amino]pyridin-3-yl}sulfonyl)-3-(propan-2-yl)urea
SMILES
CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1
INCHI
InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
FORMULA
C16H20N4O3S
Common name
Torasemide
IUPAC name
1-({4-[(3-methylphenyl)amino]pyridin-3-yl}sulfonyl)-3-(propan-2-yl)urea
Molecular weight
348.420
clogP
0.915
clogS
-4.684
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
100.19
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00372 | pyridin-4-amine |
|
Nc1ccncc1 | 0.0007 |
| FDBF00373 | 3-methylaniline |
|
c1(cc(ccc1)C)N | 0.0010 |
| FDBF00374 | N-(m-tolyl)pyridin-4-amine |
|
c1(cc(ccc1)C)Nc2ccncc2 | 0.0003 |
