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Theobromine sodium salicylate
[CAS# 8048-31-5]

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Identification
Name Theobromine sodium salicylate
Synonyms Sodium Theobromine; Benzoic Acid, 2-Hydroxy-, Monosodium Salt Mixed With 3,7-Dihydro-3,7-Dimethyl-1H-Purine-2,6-Dione Sodium Salt; Theobromine Sodium Salicylate
Molecular Structure CAS#: 8048-31-5, Theobromine sodium salicylate
Molecular Formula C7H8N4NaO2
Molecular Weight 203.16
CAS Registry Number 8048-31-5
SMILES C1=NC2=C([N]1C)C(=O)NC(=O)N2C.[Na+]
InChI 1S/C7H8N4O2.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);/q;+1
InChIKey OZHPKSFNBCNLER-UHFFFAOYSA-N
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