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Demoxepam (Standard)

CAT: 0804-HY-136591RSize: 1 EachDry Ice: NoHazardous: No
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Description
Demoxepam (Standard) is the analytical standard of Demoxepam. This product is intended for research and analytical applications. Demoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects. Demoxepam has an inhibitory effect on in vitro [3H]tryptophan binding to rat hepatic nuclei[1][2][3].
CAS Number
963-39-3
UNSPSC
12352005
Target
Drug Metabolite; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/demoxepam-standard.html
Smiles
O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=[N+]([O-])C1
Molecular Formula
C15H11ClN2O2
Molecular Weight
286.71
References & Citations
[1]Moustapha Ouédraogo, et al. In vitro cytotoxicity study of oxaziridines generated after chlordiazepoxide, demoxepam, and desmethylchlordiazepoxide UV irradiation. Drug Chem Toxicol. 2009;32 (4) :417-23.|[2]Gregory G Sarris, et al. Demoxepam Derivatization and GC-MS Analysis Produces Erroneous Nordiazepam and Oxazepam Results. J Anal Toxicol. 2019 Jun 1;43 (5) :406-410.|[3]Sidransky, H., et al., (1992) . Inhibitory effect of demoxepam on tryptophan binding to rat hepatic nuclei. Biochemical medicine and metabolic biology, 47 (3), 270–273.|[4]Vinkers, C. H., et al., (2010) . The rapid hydrolysis of chlordiazepoxide to demoxepam may affect the outcome of chronic osmotic minipump studies. Psychopharmacology, 208 (4), 555–562. .
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Demoxepam

See also: Demoxepam (annotation moved to).

CAS Number963-39-3
PubChem CID13756
IUPAC Name7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Molecular FormulaC15H11ClN2O2
Molecular Weight286.71
XLogP2.3
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity554
SMILES
C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2
InChIKey
PSADRZMLSXCSAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Demoxepam
CAS: 963-39-3
CID: 13756
Formula: C15H11ClN2O2
MW: 286.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.71
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass286.0509053
Monoisotopic Mass286.0509053
Topological Polar Surface Area52.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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