Compound ID | 3196

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Aminosalicylate calcium

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: Folate synthesis inhibitor. Mycobacterial folic acid synthesis inhibitor
Target Pathogen: Active against Mycobacterium tuberculosis
Description: Synthetic compound; better tolerated than para-aminosalicylic acid and its sodium salt formulation that cause gastrointestinal irritation
Year first mentioned: 1950
Highest development stage: Clinical Trial (1952)
Development status: Unknown
Chemical structure(s):
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Molecular weight: 344.33
Iso. SMILES: C1=CC(=C(C=C1N)[O-])C(=O)O.C1=CC(=C(C=C1N)[O-])C(=O)O.[Ca+2]
InChI Key: XDWVNCOPMIEDJK-UHFFFAOYSA-L
Can. SMILES: C1=C(C=C(C(=C1)C(=O)O)[O-])N.C1=C(C=C(C(=C1)C(=O)O)[O-])N.[Ca+2]
InChI: InChI=1S/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/54684690
Citation: https://www.atsjournals.org/doi/abs/10.1164/art.1952.66.5.619?role=tab

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