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sodium caffeine benzoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_32140

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.

Term info

Label

sodium caffeine benzoate

Synonyms
  • sodium 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione benzoate
  • sodium caffeine benzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
sodium 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione benzoate [ IUPAC ]

BRAND NAME
Annaca [ KEGG_DRUG ]

charge

0

formula

C8H10N4O2.C7H5O2.Na

has obo namespace

chebi_ontology

has related synonym

caffeine sodium benzoate, sodium benzoate and caffeine, Annaca, caffeine benzoic acid sodium salt, caffeine and sodium benzoate, sodium benzoate--1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

id

CHEBI:32140

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

mass

338.299

monoisotopicmass

338.09910

smiles

C12=C(N(C(=O)N(C)C1=O)C)N=CN2C.C1(=CC=CC=C1)C(=O)[O-].[Na+]

Term relations