Lirexapride

Base Information

• Chemical Name: Lirexapride
• CAS No.: 145414-12-6
• Molecular Formula: C24H36 Cl N3 O2
• Molecular Weight: 434.0145
• UNII: N33SZ2N85M
• DSSTox Substance ID: DTXSID20163005
• Wikidata: Q27284464
• NCI Thesaurus Code: C80762
• ChEMBL ID: CHEMBL2107144
• Mol file: 145414-12-6.mol

Synonyms:Lirexapride;Lirexapride [INN];145414-12-6;UNII-N33SZ2N85M;N33SZ2N85M;4-amino-5-chloro-2-(cyclopropylmethoxy)-N-((1R,2R)-2-((4-methylpiperidin-1-yl)methyl)cyclohexyl)benzamide;4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide;C24H36ClN3O2;SCHEMBL384567;CHEMBL2107144;DTXSID20163005;C24-H36-Cl-N3-O2;AKOS040752601;Q27284464;4-AMINO-5-CHLORO-.ALPHA.-CYCLOPROPYL-N-((1R,2R)-2-((4-METHYLPIPERIDINO)METHYL)CYCLOHEXYL)-O-ANISAMIDE;4-Amino-5-chloro-alpha-cyclopropyl-N-((1R,2R)-2-((4-methylpiperidino)methyl)-cyclohexyl)-o-anisamide.;4-Amino-5-chloro-alpha-cyclopropyl-N-((1R,2R)-2-((4-methylpiperidino)methyl)cyclohexyl)-o-anisamide

Chemical Property of Lirexapride

Chemical Property:

• Vapor Pressure: 1.24E-12mmHg at 25°C
• Boiling Point: 561.5°C at 760 mmHg
• Flash Point: 293.4°C
• PSA: 71.08000
• Density: 1.2g/cm³
• LogP: 5.82540
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 433.2496051
• Heavy Atom Count: 30
• Complexity: 565

Purity/Quality:

LIREXAPRIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)CC2CCCCC2NC(=O)C3=CC(=C(C=C3OCC4CC4)N)Cl
• Isomeric SMILES: CC1CCN(CC1)C[C@H]2CCCC[C@H]2NC(=O)C3=CC(=C(C=C3OCC4CC4)N)Cl