Caffeine hydrobromide
Molecular Formula:
C8H11BrN4O2
InChI: InChI=1/C8H10N4O2.BrH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H/fC8H11N4O2.Br/h10H;1h/q+1;-1
InChIKey: InChIKey=XXSSHQCOBPQFOL-CJCIAZTFCK
SMILES: C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Br-]
Names:
Caffeine bromide
Caffeine hydrobromide
CAFFEINE, MONOHYDROBROMIDE
EINECS 227-258-9
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrobromide (9CI)
1,3,7-trimethylpurine-2,6-dione bromide
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, monohydrobromide
5743-18-0
Registries:
PubChem CID 21966
PubChem ID 164669
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