mesalazine   

GtoPdb Ligand ID: 2700

Synonyms: 5-aminosalicylic acid | 5-ASA | mesalamine (USAN) | Pentasa®
mesalazine is an approved drug (FDA (1987))
Compound class: Synthetic organic
Comment: Mesalazine is an aminosalicylate anti-inflammatory drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 83.55
Molecular weight 153.04
XLogP 0.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Nc1ccc(c(c1)C(=O)O)O
Isomeric SMILES Nc1ccc(c(c1)C(=O)O)O
InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
IUPAC Name
5-Amino-2-hydroxybenzoic acid
International Nonproprietary Names
INN number INN
5444 mesalazine
Synonyms
5-aminosalicylic acid | 5-ASA | mesalamine (USAN) | Pentasa®
Database Links
BindingDB Ligand 60918
CAS Registry No. 89-57-6
ChEBI CHEBI:6775
ChEMBL Ligand CHEMBL704
DrugBank Ligand DB00244
DrugCentral Ligand 1710
GtoPdb PubChem SID 135649824
Immunopaedia Search mesalazine
PubChem CID 4075
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Wikipedia Mesalazine