theobromine sodium salicylate (Q27285307)

AKOS016372186 (English)

14 October 2016

chemical formula

C₁₄H₁₂N₄Na₂O₅

1 reference

AKOS016372186 (English)

20 November 2016

canonical SMILES

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

1 reference

AKOS016372186 (English)

20 November 2016

isomeric SMILES

[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1O.[O-]/C/1=N/C(=O)C2=C(N=CN2C)N1C

1 reference

Sodium 3,7-dimethyl-6-oxo-6,7-dihydro-3H-purin-2-olate 2-hydroxybenzoate (2:1:1) (English)

InChI=1S/C7H8N4O2.C7H6O3.2Na/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*+1/p-2

20 November 2016

Identifiers

InChI

1 reference

AKOS016372186 (English)

KVOQALVUGACULC-UHFFFAOYSA-L

20 November 2016

InChIKey

1 reference

Global Substance Registration System

AKOS016372186 (English)

20 November 2016

1 reference

UNII

O42S49LAA4

theobromine sodium salicylate anhydrous (English)

20 November 2016

1 reference

Sodium 3,7-dimethyl-6-oxo-6,7-dihydro-3H-purin-2-olate 2-hydroxybenzoate (2:1:1) (English)

20 November 2016

1 reference

Global Substance Registration System

AKOS016372186 (English)

20 November 2016

1 reference

1 reference

UNII

O42S49LAA4

Global Substance Registration System

theobromine sodium salicylate anhydrous (English)

20 November 2016

2 references

UNII

O42S49LAA4

theobromine sodium salicylate anhydrous (English)