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

Molecular Formula: C8H10ClN5O6


InChI: InChI=1/C8H9ClN4O3.HNO3/c1-11-5-4(6(15)12(2)8(11)16)13(3-14)7(9)10-5;2-1(3)4/h14H,3H2,1-2H3;(H,2,3,4)/f/h;2H

InChIKey: InChIKey=AKWIIELWJKTVGQ-BAUHCGJDCX
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CO.[N+](=O)(O)[O-]

Names:
    Nitric acid, ester with 8-chloro-1,3-dimethyl-7-hydroxymethylxanthine
    Theophylline, 8-chloro-7-hydroxymethyl-, nitrate (ester)
    Theophylline, 8-chloro-7-hydroxymethyl-, nitrate
    Theophylline, 8-chloro-7-hydroxymethyl-, nitrate (ester)
    Xanthine, 8-chloro-1,3-dimethyl-7-hydroxymethyl-, nitrate (ester)
    63906-66-1
    8-Chloro-7-hydroxycaffeine nitrate
    8-chloro-7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione; nitric acid

Registries:
    PubChem CID 64130
    PubChem ID 206173