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Substance Name: Calcium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
RN: 71720-41-7
InChIKey: GLKKXCKNQZHZHS-UHFFFAOYSA-L

Molecular Formula

  • C9-H10-N4-O4.1/2Ca

Molecular Weight

  • 514.4662
 
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Names and Synonyms

Synonym

  • EINECS 275-889-3

Systematic Name

  • Calcium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate

Registry Numbers

CAS Registry Number

  • 71720-41-7

System Generated Number

  • 0071720417

Molecular Formulas

Molecular Formula

  • C9-H10-N4-O4.1/2Ca

Molecular Formula Fragments

  • C9-H10-N4-O4
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H10N4O4.Ca/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h2*4H,3H2,1-2H3,(H,14,15);/q;;+2/p-2

InChIKey

GLKKXCKNQZHZHS-UHFFFAOYSA-L

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)[O-].Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)[O-].[Ca+2]