Unii-0M14O7T47Q

Base Information

• Chemical Name: Unii-0M14O7T47Q
• CAS No.: 108785-69-9
• Molecular Formula: C21H26 F3 N5
• Molecular Weight: 405.465
• UNII: 0M14O7T47Q
• Wikipedia: Lorpiprazole
• Wikidata: Q6681547
• NCI Thesaurus Code: C81579
• Mol file: 108785-69-9.mol

Synonyms:Lorpiprazole;Lorpiprazole [INN];UNII-0M14O7T47Q;0M14O7T47Q;108785-69-9;C21H26F3N5;C21-H26-F3-N5;Q6681547;(+-)-cis-5,5a,6,7,8,8a-Hexahydro-3-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)cyclopenta(3,4)pyrrolo(2,1-c)-s-triazole;(+/-)-CIS-5,5A,6,7,8,8A-HEXAHYDRO-3-(2-(4-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-1-PIPERAZINYL)ETHYL)CYCLOPENTA(3,4)PYRROLO(2,1-C)-S-TRIAZOLE;(- )-cis-5,5a,6,7,8,8a-Hexahydro-3-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)cyclopenta(3,4)pyrrolo(2,1-c)-s-triazole

Chemical Property of Unii-0M14O7T47Q

Chemical Property:

• Vapor Pressure: 1.95E-12mmHg at 25°C
• Boiling Point: 556.8°Cat760mmHg
• Flash Point: 290.6°C
• PSA: 37.19000
• Density: 1.42g/cm³
• LogP: 3.56180
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 405.21403034
• Heavy Atom Count: 29
• Complexity: 565

Purity/Quality:

Lorpiprazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CN3C(=NN=C3C2C1)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
• Isomeric SMILES: C1C[C@@H]2CN3C(=NN=C3[C@@H]2C1)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
• Uses: Lorpiprazole is a triazole based compound with analgesic and anxiolytic activities.