IUPAC name
5-[(E)-2-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazen-1-yl]-2-hydroxybenzoic acid
SMILES
OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O
Compound class
Anti-Inflammatory Agents, Non-Steroidal; Gastrointestinal Agents; Alimentary Tract and Metabolism; Aminosalicylic Acid and Similar Agents; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents;
Therapeutic area
For the treatment of mildly to moderately active ulcerative colitis.
Common name
Balsalazide
IUPAC name
5-[(E)-2-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazen-1-yl]-2-hydroxybenzoic acid
SMILES
OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O
INCHI
InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+
FORMULA
C17H15N3O6
Common name
Balsalazide
IUPAC name
5-[(E)-2-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazen-1-yl]-2-hydroxybenzoic acid
Molecular weight
357.317
clogP
1.975
clogS
-2.890
HBond Acceptor
8
HBond Donor
4
Total Polar
Surface Area
148.65
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00048 | benzamide |
|
O=C(N)c1ccccc1 | 0.0117 |
| FDBF00858 | N-methylbenzamide |
|
CNC(=O)c1ccccc1 | 0.0031 |
| FDBF01806 | phenylhydrazine |
|
N(N)c1ccccc1 | 0.0014 |
| FDBF01808 | 2-hydroxybenzoic acid |
|
c1cc(c(cc1)O)C(=O)O | 0.0041 |
