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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:sodium caffeine benzoate
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Accession:CHEBI:32140 term browser browse the term
Definition:A mixture of caffeine and sodium benzoate. It is used for the treatment of acute respiratory depression associated with overdosage of CNS depressant drugs and also used in combination with ergotamine to prevent vascular headaches.
Synonyms:exact_synonym: sodium 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione benzoate
 related_synonym: Annaca;   Formula=C8H10N4O2.C7H5O2.Na;   InChI=1S/C8H10N4O2.C7H6O2.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6;/h4H,1-3H3;1-5H,(H,8,9);/q;;+1/p-1;   InChIKey=JWBPVFVNISJVEM-UHFFFAOYSA-M;   SMILES=C12=C(N(C(=O)N(C)C1=O)C)N=CN2C.C1(=CC=CC=C1)C(=O)[O-].[Na+];   caffeine and sodium benzoate;   caffeine benzoic acid sodium salt;   sodium benzoate--1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
 xref: CAS:8000-95-1;   KEGG:C13403;   KEGG:D02409;   PMID:15810401;   PMID:29768288;   PMID:9952095



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Term Annotations click to browse term
  CHEBI ontology 19878
    chemical entity 19876
      chemical substance 14395
        mixture 13713
          sodium caffeine benzoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19878
    subatomic particle 19876
      composite particle 19876
        hadron 19876
          baryon 19876
            nucleon 19876
              atomic nucleus 19876
                atom 19876
                  main group element atom 19815
                    p-block element atom 19815
                      carbon group element atom 19755
                        carbon atom 19752
                          organic molecular entity 19752
                            organic molecule 19704
                              organic cyclic compound 19493
                                organic heterocyclic compound 18867
                                  organic heteropolycyclic compound 18290
                                    organic heterobicyclic compound 17233
                                      imidazopyrimidine 7756
                                        purines 7755
                                          aminopurine 6727
                                            2-aminopurines 6301
                                              guanine 6274
                                                xanthine 6193
                                                  methylxanthine 4085
                                                    trimethylxanthine 3730
                                                      caffeine 3730
                                                        sodium caffeine benzoate 0
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