Theophylline, 8-chloro-7-hydroxymethyl-, nitrite (ester)

Molecular Formula: C₈H₁₀ClN₅O₅

InChI: InChI=1/C8H9ClN4O3.HNO2/c1-11-5-4(6(15)12(2)8(11)16)13(3-14)7(9)10-5;2-1-3/h14H,3H2,1-2H3;(H,2,3)/f/h;2H

InChIKey: InChIKey=XHRKBDQMDPKJMB-BAUHCGJDCE
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CO.N(=O)O

Names:
    Theophylline, 8-chloro-7-hydroxymethyl-, nitrite (ester)
    Theophylline, 8-chloro-7-hydroxymethyl-, nitrite
    Theophylline, 8-chloro-7-hydroxymethyl-, nitrite (ester)
    Xanthine, 8-chloro-1,3-dimethyl-7-hydroxymethyl-, nitrite (ester)
    63906-67-2
    8-Chloro-7-hydroxycaffeine nitrite
    8-chloro-7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione; nitrous acid

Registries:
    PubChem CID 64132
    PubChem ID 206174