CGS 12066B dimaleate

Base Information

• Chemical Name: CGS 12066B dimaleate
• CAS No.: 109028-10-6
• Molecular Formula: C21H21F3N4O4
• Molecular Weight: 450.411
• UNII: VJ9I4R0C0C
• DSSTox Substance ID: DTXSID0042589
• Wikipedia: CGS-12066A
• Wikidata: Q27132993
• ChEMBL ID: CHEMBL4531673
• Mol file: 109028-10-6.mol

Synonyms:7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolol(1,2-a)quinoxaline;CGS 12066;CGS 12066A;CGS 12066B;CGS 12066B ethanedioate (1:2);CGS-12066A;CGS-12066B

Chemical Property of CGS 12066B dimaleate

Chemical Property:

• Vapor Pressure: 3.08E-07mmHg at 25°C
• Melting Point: 126-127℃
• Boiling Point: 419.3°Cat760mmHg
• Flash Point: 207.4°C
• PSA: 172.98000
• Density: g/cm³
• LogP: 2.68460
• Storage Temp.: Store at RT
• Solubility.: H2O: 1.4 mg/mL
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 566.16244825
• Heavy Atom Count: 40
• Complexity: 569

Purity/Quality:

98%Min ^*data from raw suppliers

CGS 12066B dimaleate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCN(CC1)C2=NC3=C(N4C2=CC=C4)C=CC(=C3)C(F)(F)F.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
• Uses: CGS 12066B dimaleate is a selective SR-1B agonist.