5-Aminosalicylic acid
Chemical Information
Mesalamine is a monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position. It has a role as a non-steroidal anti-inflammatory drug. It is a monocarboxylic acid, a monohydroxybenzoic acid, an amino acid, a member of phenols and an aromatic amine. It is functionally related to a salicylic acid. It is a conjugate acid of a mesalaminate(1-).
| CAS Number | 89-57-6 |
| PubChem CID | 4075 |
| IUPAC Name | 5-amino-2-hydroxybenzoic acid |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.14 |
| XLogP | 1.3 |
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 160 |
| Property | Value |
|---|---|
| Molecular Weight | 153.14 |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 153.042593085 |
| Monoisotopic Mass | 153.042593085 |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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