Niometacin

Base Information

• Chemical Name: Niometacin
• CAS No.: 16426-83-8
• Molecular Formula: C18H16 N2 O4
• Molecular Weight: 324.336
• Hs Code.: 2933990090
• European Community (EC) Number: 240-479-5
• UNII: 6EYW73T7SG
• DSSTox Substance ID: DTXSID70167735
• Nikkaji Number: J9.037I
• Wikidata: Q27264770
• NCI Thesaurus Code: C61861
• ChEMBL ID: CHEMBL2105208
• Mol file: 16426-83-8.mol

Synonyms:Niometacin;16426-83-8;Niometacin [INN];Niometacina;Niometacine;Niometacinum;Niometacine [French];Niometacinum [Latin];Niometacina [Spanish];Niometacine [INN-French];Niometacinum [INN-Latin];UNII-6EYW73T7SG;Niometacina [INN-Spanish];6EYW73T7SG;EINECS 240-479-5;2-(5-Methoxy-2-methyl-1-nicotinoyl-1H-indol-3-yl)acetic acid;2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)indol-3-yl]acetic acid;5-Methoxy-2-methyl-1-nicotinoylindole-3-acetic acid;SCHEMBL2010371;CHEMBL2105208;DTXSID70167735;Q27264770;Indole-3-acetic acid, 5-methoxy-2-methyl-1-nicotinoyl-;2-(5-Methoxy-2-methyl-1-nicotinoyl-1H-indol-3-yl)aceticacid;1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(3-pyridinylcarbonyl)-;2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)-1H-indol-3-yl]acetic acid

Chemical Property of Niometacin

Chemical Property:

• Vapor Pressure: 3.12E-10mmHg at 25°C
• Melting Point: 188-189 °C(Solv: acetone (67-64-1); water (7732-18-5))
• Boiling Point: 485.3°Cat760mmHg
• PKA: 3.93±0.30(Predicted)
• Flash Point: 247.3°C
• PSA: 81.42000
• Density: 1.3g/cm³
• LogP: 2.66890
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 324.11100700
• Heavy Atom Count: 24
• Complexity: 484

Purity/Quality:

99% ^*data from raw suppliers

NIOMETACIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CN=CC=C3)C=CC(=C2)OC)CC(=O)O

Technology Process of Niometacin

There total 1 articles about Niometacin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ (5-methoxy-2-methyl-1-nicotinoyl-indol-3-yl)-acetic acid (16426-83-8)

Guidance literature:

Aus Acetaldehyd-(N-nicotinoyl-p-methoxy-phenylhydrazon) u. Laevulinsaeure/HCl;