CHEBI:31567 - Ethoheptazine citrate

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ChEBI Name Ethoheptazine citrate
ChEBI ID CHEBI:31567
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C16H23NO2.C6H8O7
C22H31NO9
Net Charge 0
Average Mass 453.484
Monoisotopic Mass 453.19988
InChI InChI=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)
InChIKey KCVHFFSPDODYOG-UHFFFAOYSA-N
SMILES C1(C2(C(OCC)=O)CCCN(CC2)C)=CC=CC=C1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
ChEBI Ontology
Outgoing Ethoheptazine citrate (CHEBI:31567) is a carbonyl compound (CHEBI:36586)
Synonym Source
Ethoheptazine citrate KEGG COMPOUND
Manual Xref Database
D01435 KEGG DRUG
View more database links
Registry Number Type Source
6700-56-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017