Basic information
- CAS
20971-53-3- Standard SMILES
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO- InChIKey
FOCBRQQHNOKOJQ-UHFFFAOYSA-N- Molecular formula
- C17H14ClFN2O2
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0727835
Names & identifiers
- Preferred name
- Ro 07-2750
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
- English name
- N1-(2-Hydroxyethyl)flurazepam
- Molecular formula
- C17H14ClFN2O2
- Molecular weight
- 332.76
Names & synonyms
20971-53-3Ro-07-2750N(sup 1)-(2-Hydroxyethyl)flurazepam2Z6WHH283ERo 07-2750DTXSID10175152RefChem:883667DTXCID20976432-Hydroxyethylflurazepam2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-N-1-(Hydroxyethyl)flurazepam7-chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
Show more names
1-(2-Hydroxyethyl)flurazepamN1-(2-Hydroxyethyl)flurazepam2-Hydroxyethylflurazepam (CRM)2-Hydroxyethylflurazepam solution2-hydroxyethylflurazepam in methanol2-Hydroxyethylflurazepam, 1mg/ml in Methanol2-Hydroxyethylflurazepam 0.1 mg/ml in Methanol1-(2-Hydroxyethyl)-5-(2-fluorophenyl)-7-chloro-1H-1,4-benzodiazepine-2(3H)-one7-Chloro-5-(o-fluorophenyl)-1,3-dihydro-1-(2-hydroxyethyl)-2H-1,4-benzodiazepin-2-one
CHEMBL435684Ro 7-27507-Chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-oneFlurazepam Impurity 4Flurazepam, hydroxyethylUNII-2Z6WHH283EFlurazepam, (N-hydroxyethyl)-SCHEMBL11679711
Database identifiers
- CAS
20971-53-3- PubChem CID
- 30401
- DTXSID
DTXSID10175152- ChEMBL
CHEMBL435684- UNII
- 2Z6WHH283E
- EC Number
- 803-377-7
- Nikkaji
- J41.259G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 567.1 · 567.1±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- pka
- 14.42 · 14.42±0.10(Predicted)
- FDA UNII
- 2 Z6WHH283E · 2Z6WHH283E
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H370
- Precautionary statements
- 210 · P210-P260-P280-P301+P310-P311
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11-23/24/25-39/23/24/25
- Safety Statements
- 7 · 7-16-36/37-45
- RIDADR
- 1230 · UN1230 - class 3 - PG 2 - Methanol, solution
- WGK Germany
- 1 · 1
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Hazard statements
- H225-H301+H311+H331-H370
- Precautionary statements
- P210-P260-P280-P301+P310-P311
Chemistry & industry
Applications
Uses2-Hydroxyethylflurazepam (compound II) is a metabolite of Flurazepam[1].
Suppliers3 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
1 records
Compound notes
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