Theobromine sodium
Molecular Formula:
C7H7N4NaO2
InChI: InChI=1/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/p-1/fC7H7N4O2.Na/q-1;m
InChIKey: InChIKey=OZHPKSFNBCNLER-XOBYBBLGCX
SMILES: CN1C=NC2=C1C(=O)N=C(N2C)[O-].[Na+]
Names:
EINECS 213-775-7
Sodium theobromine
sodium 3,7-dimethyl-6-oxo-purin-2-olate
Theobrominate de sodium [French]
Theobromine sodium
Theobromine, sodium salt
1010-59-9
3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt
Registries:
PubChem CID 11019926
PubChem ID 213861
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