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Chemical structure of N-acetyl-5-Aminosalicylic Acid

GC40298

N-acetyl-5-Aminosalicylic Acid

Also known as 5-acetamido-2-hydroxybenzoic acid

N-acetyl-5-Aminosalicylic acid is a metabolite of the anti-inflammatory agent 5-aminosalicylic acid and its prodrug form, sulfasalazine

ChemicalCAS51-59-2MW195.2FormulaC9H9NO4
CAS number
51-59-2
Molecular weight
195.2
Formula
C9H9NO4
Solubility
DMSO ： 125 mg/mL (640·47 mM; Need ultrasonic)
InChIKey
GEFDRROBUCULOD-UHFFFAOYSA-N
Catalogue number
GC40298
Brand
GLPBIO
Computed properties PubChem CID 65512 · XLogP 1.6 · TPSA 86.6 Ų · H-bond donors 3
XLogP
1.6
TPSA
86.6 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

SMILES CC(=O)NC1=CC(=C(C=C1)O)C(=O)O

Computed descriptors from PubChem (CID 65512), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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