Chemical Compound

Theocalcin

CAS Registry Number 8065-51-8
Theocalcin chemical structure
Primary Record

Theocalcin

In stock
7,138 g
Purity
98.1 %
CAS
8065-51-8

Compound Identifiers & Properties

CAS
8065-51-8
PubChem CID
72734362
SMILES
CN1C=NC2=C1C(=O)NC(=O)N2C.C1=CC=C(C(=C1)C(=O)[O-])[O-].[Ca+2]
Canonical SMILES
Cn1cnc2c1c(=O)[nH]c(=O)n2C.O=C([O-])c1ccccc1[O-].[Ca+2]

Names & Synonyms

  • Theocalcin
  • Theosalicin [JAN]
  • THEOSALICIN
  • Calcium diuretin
  • UNII-N5ZZ1LY24G
  • Theosalicin (JAN)
  • N5ZZ1LY24G
  • THEOBROMINE CALCIUM SALICYLATE
  • RefChem:189204
  • Theobromine calcium salicylate [NF]
  • THEOBROMINE CALCIUM SALICYLATE [MI]
  • THEOBROMINE CALCIUM SALICYLATE [WHO-DD]
  • Q27284592
  • 8065-51-8
  • Salicylic acid, calcium salt (2:1), compd. with theobromine
  • Benzoic acid, 2-hydroxy-, calcium salt (2:1), mixt. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione calcium salt