Basic information
- CAS
17617-59-3- Standard SMILES
NCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21- InChIKey
MVAUDJDXZPBWOW-UHFFFAOYSA-N- Molecular formula
- C17H15ClFN3O
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.088768
Overview
Didesethylflurazepam is a primary amino compound resulting from the dealkylation of both ethyl groups of the anti-insomnia drug flurazepam. It is the major metabolite of flurazepam. It has a role as an anxiolytic drug, an anticonvulsant, a sedative, a drug metabolite and a GABAA receptor agonist. It is a 1,4-benzodiazepinone, an organochlorine compound, a primary amino compound and a member of monofluorobenzenes.
Names & identifiers
- Preferred name
- Didesethylflurazepam
- IUPAC
- 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
- English name
- didesethylflurazepam
- Molecular formula
- C17H15ClFN3O
- Molecular weight
- 331.77
Names & synonyms
Didesethylflurazepam17617-59-3DideethylflurazepamN,N-Bisdesethylflurazepam1-(2-Aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-oneRo 7-1986BUJ3JOD7XF1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-oneCHEBI:143439DTXSID801700932H-1,4-Benzodiazepin-2-one, 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-desdialkylflurazepam
Show more names
Ro-7-19067-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-aminoethyl)-2H-1,4-benzodiazepine-2-one
RefChem:133295DTXCID0092584Didesethyl flurazepam21808-55-92H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-2H-1,4-Benzodiazepin-2-one, 1-(2-aminoethyl)-7-chloro-5-(o-fluorophenyl)-1,3-dihydro-Didesethyl Flurazepam Dihydrobromide(5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
17617-59-3- PubChem CID
- 28647
- DTXSID
DTXSID80170093- ChEMBL
CHEMBL1201372- ChEBI
CHEBI:143439- UNII
- BUJ3JOD7XF
- Nikkaji
- J54.517A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 550.2 · 550.2±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 8.88 · 8.88±0.10(Predicted)
- FDA UNII
- 3 JOD7XF · BUJ3JOD7XF
Chemistry & industry
Applications
UsesA labelled metabolite of Flurazepam Controlled substance (depressant).
Suppliers5 total
凯试(上海)科技有限公司021-50135380 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Additional notes
DefinitionChEBI: Didesethylflurazepam is a primary amino compound resulting from the dealkylation of both ethyl groups of the anti-insomnia drug flurazepam. It is the major metabolite of flurazepam. It has a role as a GABAA receptor agonist, an anticonvulsant, an anxiolytic drug, a sedative and a drug metabolite. It is a 1,4-benzodiazepinone, a member of monofluorobenzenes, an organochlorine compound and a primary amino compound.
Related reactions
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Compound notes
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