Mesalamine

C₇H₇NO₃ — CID 4075

About Mesalamine

Mesalamine (PubChem CID 4075) has the molecular formula C₇H₇NO₃ and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-amino-2-hydroxybenzoic acid.

Molecular Properties

• Compound Name: Mesalamine
• PubChem CID: 4075
• Molecular Formula: C₇H₇NO₃
• Molecular Weight: 153.14 g/mol
• Exact Mass: 153.04
• IUPAC Name: 5-amino-2-hydroxybenzoic acid
• SMILES: Nc1ccc(O)c(C(=O)O)c1
• InChI: InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
• InChIKey: KBOPZPXVLCULAV-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 83.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	153.14
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Mesalamine?

The IUPAC name of Mesalamine (CID 4075) is 5-amino-2-hydroxybenzoic acid.

What is the SMILES notation for Mesalamine?

The canonical SMILES for Mesalamine is Nc1ccc(O)c(C(=O)O)c1.

What is the InChIKey of Mesalamine?

The InChIKey is KBOPZPXVLCULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11).

What are the key properties of Mesalamine?

Mesalamine has a molecular weight of 153.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Mesalamine is sourced from PubChem (CID 4075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4075 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1710 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.