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ChEBI
> Main
CHEBI:9636 - Toremifene citrate
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ChEBI Ontology
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ChEBI Name
Toremifene citrate
ChEBI ID
CHEBI:9636
Stars
This entity has been manually annotated by a third party.
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Formulae
C26H28ClNO.C6H8O7
C32H36ClNO8
Net Charge
0
Average Mass
598.084
Monoisotopic Mass
597.21294
InChI
InChI=1S/C26H28ClNO.C6H8O7/c1-
28(2)
19-
20-
29-
24-
15-
13-
23(14-
16-
24)
26(22-
11-
7-
4-
8-
12-
22)
25(17-
18-
27)
21-
9-
5-
3-
6-
10-
21;7-
3(8)
1-
6(13,5(11)
12)
2-
4(9)
10/h3-
16H,17-
20H2,1-
2H3;13H,1-
2H2,(H,7,8)
(H,9,10)
(H,11,12)
/b26-
25-
;
InChIKey
IWEQQRMGNVVKQW-OQKDUQJOSA-N
SMILES
C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C1=CC=CC(=C1)\C(\C=2C=CC(=CC2)OCCN(C)C)=C(\C3=CC=CC=C3)/CCCl
Roles Classification
Biological Role
(s):
anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Toremifene citrate (
CHEBI:9636
)
has role
anticoronaviral agent (
CHEBI:149553
)
Toremifene citrate (
CHEBI:9636
)
is a
stilbenoid (
CHEBI:26776
)
Synonyms
Sources
Fareston (TN)
KEGG COMPOUND
Toremifene citrate
KEGG COMPOUND
Manual Xref
Database
D00967
KEGG DRUG
View more database links
Registry Number
Type
Source
89778-27-8
CAS Registry Number
KEGG COMPOUND
Last Modified
23 April 2020