Iomazenil (123I)

Base Information

• Chemical Name: Iomazenil (123I)
• CAS No.: 127396-36-5
• Molecular Formula: C15H14 I N3 O3
• Molecular Weight: 0
• UNII: B851121553
• DSSTox Substance ID: DTXSID00155549
• Wikipedia: Iomazenil
• Wikidata: Q6062805
• NCI Thesaurus Code: C96723
• ChEMBL ID: CHEMBL2105020
• Mol file: 127396-36-5.mol

Synonyms:(123I)iomazenil;ethyl 7-iodo-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate;hyl 5,6-dihydro-7-iodo-(sup 123 sup)I-5-methyl-6-oxo-4h-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate;iomazenil;iomazenil (123I);iomazenil I-123;Ro 16-0154;Ro-16-0154

Chemical Property of Iomazenil (123I)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 64.43000
• Density: 1.77g/cm³
• LogP: 2.17710
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 407.00911
• Heavy Atom Count: 22
• Complexity: 461

Purity/Quality:

97% ^*data from raw suppliers

Iomazenil ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3I)C
• Isomeric SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3[123I])C

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