CHEBI:32140 - sodium caffeine benzoate

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ChEBI Name sodium caffeine benzoate ChEBI ID CHEBI:32140 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H10N4O2.C7H5O2.Na Net Charge 0 Average Mass 338.299 Monoisotopic Mass 338.09910 InChI 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+] ChEBI Ontology Outgoing sodium caffeine benzoate (CHEBI:32140) has part caffeine (CHEBI:27732) sodium caffeine benzoate (CHEBI:32140) has part sodium benzoate (CHEBI:113455) sodium caffeine benzoate (CHEBI:32140) is a mixture (CHEBI:60004) IUPAC Name sodium 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione benzoate Synonyms Sources caffeine and sodium benzoate KEGG DRUG caffeine benzoic acid sodium salt ChEBI caffeine sodium benzoate ChemIDplus sodium benzoate and caffeine ChemIDplus sodium benzoate—1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione IUPAC sodium caffeine benzoate KEGG COMPOUND Brand Name Source Annaca KEGG DRUG Manual Xrefs Databases C13403 KEGG COMPOUND D02409 KEGG DRUG View more database links Registry Numbers Types Sources 8000-95-1 CAS Registry Number KEGG COMPOUND 8000-95-1 CAS Registry Number ChemIDplus Citations Types Sources 15810401 PubMed citation Europe PMC 29768288 PubMed citation Europe PMC 9952095 PubMed citation Europe PMC Last Modified 20 February 2019