CHEBI:31497 - Dimetacrine tartrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dimetacrine tartrate
ChEBI ID CHEBI:31497
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H26N2.C4H6O6
Net Charge 0
Average Mass 444.522
Monoisotopic Mass 444.22604
InChI InChI=1S/C20H26N2.C4H6O6/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20;5-1(3(7)8)2(6)4(9)10/h5-8,10-13H,9,14-15H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey IIYKUJVECNNTEY-LREBCSMRSA-N
SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc12
ChEBI Ontology
Outgoing Dimetacrine tartrate (CHEBI:31497) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Dimetacrine bitartrate KEGG COMPOUND
Dimetacrine tartrate KEGG COMPOUND
Manual Xref Database
C12959 KEGG COMPOUND
View more database links
Registry Number Type Source
3759-07-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014