129166-25-2 Usage
Chemical class
Benzodiazepine
Structure
Contains a benzodiazepine ring, a seven-membered ring fused to a five-membered ring
Functional groups
Bromine (Br) at the 7th position
Chlorophenyl (C6H4Cl) at the 5th position
Hydroxyl (OH) at the 3rd position
Methyl (CH3) at the 1st position
Molecular weight
Approximately 360.63 g/mol
Appearance
Likely a solid, though specific appearance is not provided
Solubility
Solubility is not provided, but benzodiazepines are generally lipophilic and may be more soluble in organic solvents
Pharmacological properties
Sedative and anxiolytic effects due to benzodiazepine class
Potential interactions with neurotransmitter receptors in the central nervous system
Therapeutic potential
Possible use as a therapeutic agent for anxiety, insomnia, or seizures, but further research is needed
Safety and efficacy
Complex structure implies potential for side effects or toxicity; proper evaluation is necessary before medical use
Synthesis
The synthesis method is not provided, but benzodiazepines are typically synthesized through the condensation of an amide with a 1,4-benzodiazepine-2-one
Stability
Stability information is not provided, but benzodiazepines are generally stable compounds under normal conditions
Metabolism
Metabolism information is not provided, but benzodiazepines are typically metabolized in the liver through oxidation, reduction, and hydrolysis reactions
Excretion
Excretion information is not provided, but benzodiazepines are generally excreted through the kidneys in the urine
Please note that some information, such as solubility, appearance, stability, metabolism, and excretion, is not provided in the material and would require further research or experimentation to determine.
Check Digit Verification of cas no
The CAS Registry Mumber 129166-25-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,1,6 and 6 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 129166-25:
(8*1)+(7*2)+(6*9)+(5*1)+(4*6)+(3*6)+(2*2)+(1*5)=132
132 % 10 = 2
So 129166-25-2 is a valid CAS Registry Number.
InChI:InChI=1/C16H12BrClN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
129166-25-2Relevant articles and documents
Synthesis and crystal structures of 7-bromo-5-(2′-chloro)phenyl-3- hydroxy-1-methyl-1,2-dihydro-3H-1,4-benzodiazepin-2-one and 7-bromo-5-(2′- chloro)phenyl-1-hexyl-1,2,4,5-tetrahydro-3H-1,4-benzodiazepin-2,3-dione
Kravtsov, Victor Ch.,Fonari, Marina S.,Gdaniec, Aria,Pavlovsky, Victor I.,Andronati, Sergei A.,Semenishyna, Ekaterina A.
experimental part, p. 32 - 37 (2012/07/14)
Treatment of 7-bromo-5-(2′-chloro)phenyl-3-hydroxy-1,2-dihydro-3H-1, 4-benzodiazepin-2-one (1) with methyl or hexyl tosylate resulted in 7-bromo-5-(2′-chloro)phenyl-3-hydroxy-1-methyl-1,2-dihydro-3H-1, 4-benzodiazepin-2-one (2) and 7-bromo-5-(2′-chloro)phenyl-1-hexyl-1,2,4,5- tetrahydro-3H-1,4-benzodiazepin-2,3-dione (3). As confirmed by X-ray crystallography, the two products differ not only in the identity of the alkyl substituent in position 1 of the benzodiazepine fragment but also crystallize in different molecular forms resulting from proton migration. This alteration of the molecular structure leads to a significant change in the conformation of the central molecular fragment and influences the assembly mode in the crystal. In 3, centrosymmetric dimers formed via a pair of NH?O hydrogen bonds are further linked into chains via CBr?OC halogen bond interaction. In turn in 2 there are two symmetry independent molecules, each giving a different set of intermolecular interactions. One of the molecules forms a dimer via OH?O interactions whereas the second one generates chain via CBr?OC halogen bond that is also assisted by a weak OH?Br hydrogen bond.
