Trelnarizine

Base Information

• Chemical Name: Trelnarizine
• CAS No.: 123205-52-7
• Molecular Formula: C28H30 F2 N2 O2
• Molecular Weight: 464.55
• UNII: SE8X571K4C
• DSSTox Substance ID: DTXSID30153896
• Nikkaji Number: J264.597A
• Wikidata: Q27289168
• NCI Thesaurus Code: C66620
• ChEMBL ID: CHEMBL2105589
• Mol file: 123205-52-7.mol

Synonyms:PU 122;PU-122

Chemical Property of Trelnarizine

Chemical Property:

• Vapor Pressure: 5.58E-13mmHg at 25°C
• Boiling Point: 569.4°Cat760mmHg
• Flash Point: 298.2°C
• PSA: 24.94000
• Density: 1.18g/cm³
• LogP: 5.27820
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 464.22753453
• Heavy Atom Count: 34
• Complexity: 590

Purity/Quality:

TRELNARIZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CCN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC