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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31914 - Nizofenone fumarate
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ChEBI Ontology
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ChEBI Name
Nizofenone fumarate
ChEBI ID
CHEBI:31914
Stars
This entity has been manually annotated by a third party.
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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