CAS 37287-41-5|1,3-Dimethylxanthine calcium

Introduction:Basic information about CAS 37287-41-5|1,3-Dimethylxanthine calcium, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1,3-Dimethylxanthine calcium
CAS Number37287-41-5Molecular Weight712.69400
Density/Boiling Point/
Molecular FormulaC28H24Ca2N8O10Melting Point/
MSDS/Flash Point/

Names

Namedicalcium,2-carboxyphenolate,1,3-dimethyl-2-oxopurin-6-olate
SynonymMore Synonyms

Chemical & Physical Properties

Molecular FormulaC28H24Ca2N8O10
Molecular Weight712.69400
Exact Mass712.08700
PSA272.26000
LogP0.90590
InChIKeyRDVKJCZNAMHCPS-UHFFFAOYSA-J
SMILESCn1c2ncnc-2c([O-])n(C)c1=O.Cn1c2ncnc-2c([O-])n(C)c1=O.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Ca+2].[Ca+2]

Synonyms

Benzoic acid,2-hydroxy-,calcium salt (2:1),mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione calcium salt
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