NO-Indomethacin

Base Information

• Chemical Name: NO-Indomethacin
• CAS No.: 301838-28-8
• Molecular Formula: C28H30 Cl N3 O9 S
• Molecular Weight: 620.07
• DSSTox Substance ID: DTXSID20431392
• Wikidata: Q82245248
• Mol file: 301838-28-8.mol

Synonyms:N-acetylcysteine-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 4-(nitrooxy)butyl ester;NCX-2121;NO-indomethacin

Chemical Property of NO-Indomethacin

Chemical Property:

• Boiling Point: 755.4±60.0 °C(Predicted)
• PKA: 14.02±0.46(Predicted)
• PSA: 184.05000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 5.05300
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 619.1391284
• Heavy Atom Count: 42
• Complexity: 959

Purity/Quality:

98% ^*data from raw suppliers

NO-Indomethacin ^*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=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SCC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C
• Isomeric SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SC[C@@H](C(=O)OCCCCO[N+](=O)[O-])NC(=O)C
• Uses: NO-Indomethacin is a Cox-1 and Cox-2 inhibitor and NO donor.