Diazepam N-oxide
Basic information
- CAS
2888-64-4- Standard SMILES
CN1C(=O)C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
FPRDNGOSKVGXHA-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O2
- Average molar mass
- 300.74 g/mol
- Monoisotopic mass
- 300.0665554
Names & identifiers
- Preferred name
- Diazepam N-oxide
- IUPAC
- 7-chloro-1-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one
- English name
- 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one 4-oxide
- Molecular formula
- C16H13ClN2O2
- Molecular weight
- 300.74
Names & synonyms
Diazepam N-oxide2888-64-4NSC-46083NSC-631652H00DZV8M7P7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxideDTXSID30183077TEMAZEPAM IMPURITY E [EP IMPURITY]2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-, 4-oxideTEMAZEPAM IMPURITY E (EP IMPURITY)NSC 46083UNII-H00DZV8M7P
Show more names
Diazepam Impurity 18Controlled Substance(Temazepam EP Impurity E)7-Chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one 4-oxide7-Chloro-1-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one 4-oxide
TEMAZEPAM IMPURITY, METHYLNORDAZEPAM N-OXIDE-(USP IMPURITY)TEMAZEPAM IMPURITY, METHYLNORDAZEPAM N-OXIDE-[USP IMPURITY]EINECS 220-756-7RefChem:132747METHYLNORDAZEPAM N-OXIDEDTXCID401055687-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one4-oxide220-756-7
Database identifiers
- CAS
2888-64-4- PubChem CID
- 72793
- DTXSID
DTXSID30183077- ChEMBL
CHEMBL1994273- UNII
- H00DZV8M7P
- EC Number
- 220-756-7
- Nikkaji
- J102.011K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Melting point
- 179 · 179-180 °C(Solv: ethanol (64-17-5))
- Boiling point
- 579.4 · 579.4±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 0.56 · 0.56±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 0 DZV8M7P · H00DZV8M7P
- REACH Registrations
- Active
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 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one 4-oxide (EC: 220-756-7)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesDiazepam N-Oxide is a derivative of Diazepam (D416855), an anxiolytic.
Suppliers
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Related reactions
1 records
Compound notes
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