Basic information
- CAS
2886-65-9- Standard SMILES
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1- InChIKey
UVCOILFBWYKHHB-UHFFFAOYSA-N- Molecular formula
- C15H10ClFN2O
- Average molar mass
- 288.7 g/mol
- Monoisotopic mass
- 288.0465688
Overview
Desalkylflurazepam is a benzodiazepine.
Names & identifiers
- Preferred name
- Desalkylflurazepam
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- N-desalkylflurazepam
- Molecular formula
- C15H10ClFN2O
- Molecular weight
- 288.7
Names & synonyms
2886-65-9NorfludiazepamDescarbethoxyloflazepateDTXSID30183057RefChem:1083168DTXCID40105548Norflutoprazepamnorflurazepam7-Chloro-5-(2-fluorophenyl)-1H-benzo[e][1,4]diazepin-2(3H)-one7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-Ro 5-3367
Show more names
DESALKYLFLURAZEPAMN-desallkylflurazepamFlurazepaM Related CoMpound Fcm7116ro5-3367sch17514MMK1 TFA
CM 71167-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-oneSch 17514nor-FlurazepamMidazolam EP Impurity FCHEMBL974Norfludiazepam; NorflurazepamX9U41NXR6M
Database identifiers
- CAS
2886-65-9- PubChem CID
- 4540
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Benzodiazepines
LogP2.7
Physicochemical properties
- Melting point
- 204 · 204-206°C
- Boiling point
- 454 · 454.0±45.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- Flash point
- 9 ℃ · 9℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- A neat solid
- pka
- 11.55 · 11.55±0.70(Predicted)
- color
- White to off-white
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one (EC: 220-748-3)
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)
Safety data
- wgk
- 2
- rtecs
- DF2370100
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 2933997500
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,T
- safety_code
- 22-24/25-45-36/37-16-7
- Storage Class
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-Desalkyl-2-oxoquazepam is a known human metabolite of 2-oxoquazepam.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
DescriptionDesalkylflurazepam (Item No. 18484) is an analytical reference material that is structurally categorized as a benzodiazepine. It is an active metabolite of several benzodiazepines, including flurazepam , flutoprazepam, fludiazepam, midazolam, and quazepam. Desalkylflurazepam inhibits L-type voltage-gated calcium channels (Cav; IC50s = 55 and 37 μM for Cav1.2 and 1.3, respectively) by positively modulating GABAA receptors. It can be detected in urine, serum, and meconium by LC-MS/MS. This product is intended for research and forensic applications.
UsesThe major human metabolite of flurazepam. This is a controlled drug precursor therefore a liscence may be required for purchase
General DescriptionN-Desalkylflurazepam (also known as norflurazepam, 2886-65-9) is a benzodiazepine analog and an active metabolite of several other benzodiazepine drugs including flurazepam, flutoprazepam, fludiazepam, midazolam, flutazolam, quazepam, and ethyl loflazepate. It is long-acting, prone to accumulation, and binds unselectively to the various benzodiazepine receptor subtypes. It has been sold as a designer drug from 2016 onward.
Upstream & downstream products
Upstream raw materials
Related reactions
16 records
Compound notes
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