theobromine calcium salicylate (Q27284592)

UNII-N5ZZ1LY24G (English)

14 October 2016

chemical formula

C₁₄H₁₂CaN₄O₅

1 reference

UNII-N5ZZ1LY24G (English)

14 October 2016

canonical SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C.C1=CC=C(C(=C1)C(=O)[O-])[O-].[Ca+2]

1 reference

UNII-N5ZZ1LY24G (English)

InChI=1S/C7H8N4O2.C7H6O3.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,9,12,13);1-4,8H,(H,9,10);/q;;+2/p-2

14 October 2016

Identifiers

InChI

1 reference

UNII-N5ZZ1LY24G (English)

UFGVUHDWEQMLGF-UHFFFAOYSA-L

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-N5ZZ1LY24G (English)

14 October 2016

1 reference

UNII

N5ZZ1LY24G

theobromine calcium salicylate (English)

14 October 2016

1 reference

Calcium 3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydropurin-1-ide 2-hydroxybenzoate (1:1:1) (English)

14 October 2016

1 reference

UNII-N5ZZ1LY24G (English)

14 October 2016

1 reference

Global Substance Registration System

THEOBROMINE CALCIUM SALICYLATE (English)

14 October 2016

1 reference

UNII

N5ZZ1LY24G

theobromine calcium salicylate (English)