Iomazenil (123I)
Basic information
- CAS
127396-36-5- Standard SMILES
CCOC(=O)c1ncn2c1CN(C)C(=O)c1c([123I])cccc1-2- InChIKey
FRIZVHMAECRUBR-KIWWSDKQSA-N- Molecular formula
- C15H14IN3O3
- Average molar mass
- 407.2 g/mol
- Monoisotopic mass
- 407.00911
Overview
Iomazenil ((123)I) is an imidazobenzodiazepine.
Names & identifiers
- Preferred name
- Iomazenil (123I)
- IUPAC
- ethyl 7-(123I)iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
- English name
- iomazenil
- Molecular formula
- C15H14IN3O3
- Molecular weight
- 0
Names & synonyms
Iomazenil (123I)Iomazenil I-123127396-36-5Iomazenil ((sup 123)I)Iomazenil i 123Iomazenil, i-123Iomazenil (123 i)(123I)iomazenil[123I]IomazenilB851121553Iomazenil (123I) [INN]Benzodine (TN)
Show more names
iomazenilIMZ-SnBu3Ro-16-01547-Iodo-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester5,6-Dihydro-7-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl esterEthyl 5,6-dihydro-7-iodo-(sup 123)I-5-methyl-6-oxo-4H-imidazo(1,5-A)(1,4)benzodiazepine-3-carboxylate4H-Imidazo(1,5-A)(1,4)benzodiazepine-3-carboxylic acid, 5,6-dihydro-7-(iodo-123I)-5-methyl-6-oxo-, ethyl ester
Iomazenil ((sup 123)I) [INN]UNII-B851121553iomazenil ((123)I)CHEMBL2105020SCHEMBL17022271SCHEMBL29374678[123I]IMZDTXSID00155549
Database identifiers
- CAS
127396-36-5- PubChem CID
- 65959
- DTXSID
DTXSID00155549- ChEMBL
CHEMBL2105020- ChEBI
CHEBI:135665- UNII
- B851121553
- Nikkaji
- J561.798G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- FDA UNII
- 851121553 · B851121553
- Comptox DTXSID
- 155549 · DTXSID00155549
Chemistry & industry
Additional notes
DefinitionChEBI: Iomazenil ((123)I) is an imidazobenzodiazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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