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CHEBI:31567 - Ethoheptazine citrate

Default Structure
ChEBI IDCHEBI:31567
ChEBI NameEthoheptazine citrate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC16H23NO2.C6H8O7
Net Charge0
Average Mass453.488
Monoisotopic Mass453.19988
SMILESCCOC(=O)C1(c2ccccc2)CCCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyKCVHFFSPDODYOG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ethoheptazine citrate (CHEBI:31567) is a carbonyl compound (CHEBI:36586)
Synonym  Source
Ethoheptazine citrateKEGG COMPOUND
Manual XrefsDatabases
D01435KEGG DRUG
Registry NumbersSources
CAS:6700-56-7KEGG COMPOUND