Basic information
- CAS
2894-61-3- Standard SMILES
O=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1- InChIKey
ATCCWKYKHCKDGT-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.00548
Overview
RN given refers to unlabeled parent cpd
Names & identifiers
- Preferred name
- 7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- Bromonordiazepam
- Molecular formula
- C15H11BrN2O
- Molecular weight
- 315.16
Names & synonyms
2894-61-32H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-phenyl-7-BpdbdB5O0SGUU777-Bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-oneDTXSID10183136RefChem:914254DTXCID201056277-bromo-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one7-bromo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-2-one7-Bromo-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Show more names
BromonordiazepamDesalkylgidazepambenzodiazepin-2-oneDesalkylgidazepam (CRM)7-Bromo-5-phenyl-1H-1,4-benzodiazepine-2(3H)-one7-Bromo-5-(phenyl)-1H-1,4-benzodiazepin-2(3H)-one
F0133-00167-bromo-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-oneChemDivAM_000745ChemDiv1_020739UNII-B5O0SGUU77Oprea1_527217Oprea1_725240
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Benzodiazepines
LogP3.11
Physicochemical properties
- Melting point
- 220 · 220-221 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 464.8 · 464.8±45.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- solubility
- 5 mg/mL; · DMF: 5 mg/mL; DMSO: 5 mg/mL; Ethanol: Slightly soluble; PBS (pH 7.2): 0.12 mg/mL
- form
- A solid
- pka
- 11.72 · 11.72±0.70(Predicted)
- InChI
- InChI=1S/C15H11BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
- InChIKey
- ATCCWKYKHCKDGT-UHFFFAOYSA-N
- SMILES
- N1C2=CC=C(Br)C=C2C(C2=CC=CC=C2)=NCC1=O
- FDA UNII
- 5 O0SGUU77 · B5O0SGUU77
Chemistry & industry
Applications
DescriptionBromonordiazepam is the active metabolite of of the Soviet developed Gidazepam. Bromonordiazepam is closely related is to Diazepam in structure, has a very long half life and is exceptionally anxiolytic with limited non-therapeutic potential.
Uses7-Bromo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one inhibits HIV-1 reverse transcription.
Upstream & downstream products
Downstream products
Additional notes
DefinitionBromonordiazepam, also known as BNZD or Bromo, is in the benzodiazepine drug class. It is commonly used for its anxiolytic (calming) and sedative effects. It comes from the more well-known drugs benzodiazepine and diazepam. The structure of this compound is similar to other benzodiazepines like alprazolam and lorazepam. It is derived directly from diazepam, which is a benzodiazepine that was first made in the 1950s. In general, Benzodiazepines work by improving the neurotransmitter GABA's activity in the brain. As a result, it produces relaxing and calming feelings. This drug is used for treating anxiety, insomnia, and other conditions that affect mood and cognition. However, like other benzodiazepines, it is also used recreationally for its euphoric effects.
Related reactions
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Compound notes
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