CHEBI:31914 - Nizofenone fumarate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nizofenone fumarate
ChEBI ID CHEBI:31914
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C21H21ClN4O3.C4H4O4
C25H25ClN4O7
Net Charge 0
Average Mass 528.943
Monoisotopic Mass 528.14118
InChI InChI=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+
InChIKey JDQAUUIBFFFOOV-WLHGVMLRSA-N
SMILES C(/C=C/C(O)=O)(O)=O.C(N(CC)CC)C=1N(C2=CC=C(C=C2C(C3=C(C=CC=C3)Cl)=O)[N+]([O-])=O)C=CN1
ChEBI Ontology
Outgoing Nizofenone fumarate (CHEBI:31914) is a benzophenones (CHEBI:22726)
Synonyms Sources
Ekonal (TN) KEGG COMPOUND
Nizofenone fumarate KEGG COMPOUND
Manual Xref Database
D01465 KEGG DRUG
View more database links
Registry Number Type Source
54533-86-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017