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85-18-7,MFCD00005581
Catalog No.:AA003NFD

85-18-7 | 8-Chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

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25g
>98.0%(T)(HPLC)
in stock  
$29.00   $20.00
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250g
>98.0%(T)(HPLC)
in stock  
$131.00   $92.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003NFD
Chemical Name:
8-Chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS Number:
85-18-7
Molecular Formula:
C7H7ClN4O2
Molecular Weight:
214.6091
MDL Number:
MFCD00005581
SMILES:
Clc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C
NSC Number:
6113
Properties
Properties
 
BP:
455°C at 760 mmHg  
Form:
Solid  
MP:
290 °C (dec.)(lit.)  
Refractive Index:
1.5560 (estimate)  
Solubility:
Soluble in sodium hydroxide.  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
297  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
0.9  

Literature

Title: Anaphylaxis to dimenhydrinate caused by the theophylline component.

Journal: Journal of investigational allergology & clinical immunology 20110101

Title: Isolation and characterization of impurities present in 8-chlorotheophylline.

Journal: Indian journal of pharmaceutical sciences 20110101

Title: Acetazolamide-based fungal chitinase inhibitors.

Journal: Bioorganic & medicinal chemistry 20101201

Title: HPLC-DAD method for the simultaneous determination of zofenopril and hydrochlorothiazide in oral pharmaceutical formulations.

Journal: Journal of separation science 20100601

Title: Assessment of the rewarding effects of dimenhydrinate using the conditioned place preference paradigm in mice.

Journal: Neuroscience letters 20100226

Title: Comparative molecular evolution of trichoderma chitinases in response to mycoparasitic interactions.

Journal: Evolutionary bioinformatics online 20100101

Title: Analysis of total caffeine and other xanthines in specialty coffees using mixed mode solid-phase extraction and liquid chromatography-diode-array detection after microwave digestion.

Journal: Journal of analytical toxicology 20081001

Title: Diaqua-bis(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydro-7H-purinato-κN)copper(II) dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: Structure of Saccharomyces cerevisiae chitinase 1 and screening-based discovery of potent inhibitors.

Journal: Chemistry & biology 20070501

Title: Simultaneous determination of caffeine, 8-chlorotheophylline, and chlorphenoxamine hydrochloride in ternary mixtures by ratio-spectra zero-crossing first-derivative spectrophotometric and chemometric methods.

Journal: Journal of AOAC International 20050101

Title: Dimenhydrinate produces a conditioned place preference in rats.

Journal: Pharmacology, biochemistry, and behavior 20030401

Title: Structural basis for the binding affinity of xanthines with the DNA intercalator acridine orange.

Journal: Journal of medicinal chemistry 20011220

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Tags:85-18-7 Molecular Formula|85-18-7 MDL|85-18-7 SMILES|85-18-7 8-Chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione