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CHEBI:756155 - cotinine fumarate

Default Structure
ChEBI IDCHEBI:756155
ChEBI Namecotinine fumarate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC10H12N2O.C10H12N2O.C4H4O4
Net Charge0
Average Mass468.510
Monoisotopic Mass468.20088
SMILESCN1C(=O)CC[C@H]1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/2C10H12N2O.C4H4O4/c2*1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;5-3(6)1-2-4(7)8/h2*2-3,6-7,9H,4-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*9-;/m00./s1
InChIKeyNXHGVNVRWLOZDF-SZYUIZJOSA-N
ChEBI Ontology
Outgoing Relation(s)
cotinine fumarate (CHEBI:756155) is a pyridines (CHEBI:26421)
cotinine fumarate (CHEBI:756155) is a pyrrolidines (CHEBI:38260)