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ISOCAFFEINE

CAS No.:
519-32-4
Catalog Number:
AG00DE0Z
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DE0Z
Chemical Name:
ISOCAFFEINE
CAS Number:
519-32-4
MDL Number:
MFCD00022834
IUPAC Name:
1,3,9-trimethylpurine-2,6-dione
InChI:
InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
InChI Key:
LPHGQDQBBGAPDZ-UHFFFAOYSA-N
EC Number:
208-267-7
NSC Number:
28332
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Caffeine-activated large-conductance plasma membrane cation channels in cardiac myocytes: characteristics and significance. American journal of physiology. Heart and circulatory physiology 20071001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. Biochemical pharmacology 19951109
Properties