Iolopride (123I)

Base Information

• Chemical Name: Iolopride (123I)
• CAS No.: 113716-48-6
• Molecular Formula: C15H21 I N2 O3
• Molecular Weight: 404.2433
• UNII: 5E76SOQ99K
• DSSTox Substance ID: DTXSID50150544
• Wikidata: Q27261905
• NCI Thesaurus Code: C90939
• ChEMBL ID: CHEMBL3989882
• Mol file: 113716-48-6.mol

Synonyms:123I-IBZM;3-iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide;3-iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide, (R)-isomer;3-iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide, (R)-isomer, 125I labeled;3-iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide, (S)-isomer, 125I labeled;3-iodo-N-(1-ethyl-2-pyrrolidinyl)methyl-2-hydroxy-6-methoxybenzamide;IBZM;N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-3-iodo-6-methoxybenzamide

Chemical Property of Iolopride (123I)

Chemical Property:

• Vapor Pressure: 6.88E-08mmHg at 25°C
• Boiling Point: 426.9°Cat760mmHg
• Flash Point: 212°C
• PSA: 65.29000
• Density: 1.51g/cm³
• LogP: 2.73220
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 400.06081
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2O)I)OC
• Isomeric SMILES: CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2O)[123I])OC
• Recent EU Clinical Trials: EL TEST DE APOMORFINA COMO MARCADOR BIOLóGICO DE LAS RECAíDAS EN PACIENTES DEPENDIENTES DE SUSTANCIAS PSICOTROPAS