8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-imidazo(1,5-a)(1,4)benzodiazepine
Basic information
- CAS
59467-69-5- Standard SMILES
CC1=NCC2CN=C(c3ccccc3F)c3cc(Cl)ccc3N12- InChIKey
UUGUSEWJNOCDEF-UHFFFAOYSA-N- Molecular formula
- C18H15ClFN3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.0938533
Names & identifiers
- Preferred name
- 8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-imidazo(1,5-a)(1,4)benzodiazepine
- IUPAC
- 8-chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine
- English name
- 8-Chloro-3a,4-dihydro-6-(2-fluorophenyl)-1-methyl-3H-imidazo[1,5-a][1,4]benzo-diazepine
- Molecular formula
- C18H15ClFN3
- Molecular weight
- 327.78
Names & synonyms
59467-69-5WP58XDP3TTREDUCED MIDAZOLAMMidazolam impurity I [EP]MIDAZOLAM IMPURITY I [EP IMPURITY]8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-imidazo(1,5-a)(1,4)benzodiazepineMIDAZOLAM IMPURITY I (EP IMPURITY)Midazolam Impurity IRefChem:1992388-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine8-chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine8-Chloro-3a,4-dihydro-6-(2-fluorophenyl)-1-methyl-3H-imidazo[1,5-a][1,4]benzo-diazepine
Show more names
Midazolam Impurity 9(Midazolam EP Impurity I)8-CHLOOR-6-(2-FLUORFENYL)-1-METHYL-3A,4-DIHYDRO-3H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-3-yl)-8-chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-Imidazo[1,5-a][1,4]benzodiazepine3H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-(3aRS)-8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepin
3H-Imidazo(1,5-a)(1,4)benzodiazepine, 8-chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-(3aRS)-8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-Imidazo[1,5-a][1,4]benzodiazepine (>90%)8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-Imidazo[1,5-a][1,4]benzodiazepine (>90%) (Midazolam Impurity) (1mg/ml in Acetonitrile)Midazolam Imp. I (EP); (3aRS)-8-chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine; Midazolam Impurity IUNII-WP58XDP3TTSCHEMBL2969718DTXSID60452329
Database identifiers
- CAS
59467-69-5- PubChem CID
- 11023909
- DTXSID
DTXSID60452329- UNII
- WP58XDP3TT
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Melting point
- 144 · 144-146 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 453.9 · 453.9±55.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.88 · 10.88±0.40(Predicted)
- color
- Off-White to Yellow
- FDA UNII
- 58 XDP3TT · WP58XDP3TT
Chemistry & industry
Applications
Uses8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-83H-Imidazo[1,5-a][1,4]benzodiazepine is an impurity of Midazolam (M343000), a drug used for the treatment of acute seizures and is also known to exhibit activities as an anticonvulsant, sedative, and hypnotic.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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