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CHEBI:31914 - Nizofenone fumarate

ChEBI IDCHEBI:31914
ChEBI NameNizofenone fumarate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC21H21ClN4O3.C4H4O4
Net Charge0
Average Mass528.949
Monoisotopic Mass528.14118
SMILESCCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C21H21ClN4O3.C4H4O4/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22;5-3(6)1-2-4(7)8/h5-13H,3-4,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyJDQAUUIBFFFOOV-WLHGVMLRSA-N
ChEBI Ontology
Outgoing Relation(s)
Nizofenone fumarate (CHEBI:31914) is a benzophenones (CHEBI:22726)
Synonyms  Source
Nizofenone fumarateKEGG COMPOUND
Ekonal (TN)KEGG COMPOUND
Manual XrefsDatabases
D01465KEGG DRUG
Registry NumbersSources
CAS:54533-86-7KEGG COMPOUND