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Substance Name: 7,9-Dimethylxanthine betaine
RN: 5752-21-6
InChIKey: JCRRNNFJKJUYLQ-UHFFFAOYSA-O

Molecular Formula

  • C7-H8-N4-O2

Molecular Weight

  • 181.1741
 
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Names and Synonyms

Results Name

  • 7,9-Dimethylxanthine betaine

Synonym

  • 1,6-Dihydro-2-hydroxy-7,9-dimethyl-6-oxopurinium hydroxide, inner salt

Systematic Name

  • Purinium, 1,6-dihydro-2-hydroxy-7,9-dimethyl-6-oxo-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 5752-21-6

System Generated Number

  • 0005752216

Structure Descriptors

InChI

1S/C7H8N4O2/c1-10-3-11(2)5-4(10)6(12)9-7(13)8-5/h3H,1-2H3,(H-,8,9,12,13)/p+1

InChIKey

JCRRNNFJKJUYLQ-UHFFFAOYSA-O

Smiles

Cn1c[n+](c2c1c(nc(n2)O)O)C