furan;1-methylpyridin-1-ium-3-carboxylate;nicotinic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione | CAS No. 84650-00-0

furan;1-methylpyridin-1-ium-3-carboxylate;nicotinic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

Basic Information

CAS Number

84650-00-0

Molecular Formula

C25H28N6O7

Molecular Weight

524.53 g/mol

AD

Basic Physical Properties

CN1C=NC2C1C(=O)N(C)C(=O)N2C.C[N+]1=CC(=CC=C1)C([O-])=O.OC(=O)C1C=NC=CC=1.C1=CC=CO1

InChI

InChI=1S/C8H12N4O2.C7H7NO2.C6H5NO2.C4H4O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-8-4-2-3-6(5-8)7(9)10;8-6(9)5-2-1-3-7-4-5;1-2-4-5-3-1/h4-6H,1-3H3;2-5H,1H3;1-4H,(H,8,9);1-4H

InChIKey

GCXWWLLWAMSGEL-UHFFFAOYSA-N

Safety Information

View Safety Information

GHS Hazard Pictograms

H226H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Synonyms & References

English

  • Coffee, Coffea arabica,ext.
  • COCOA

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