Preferred Name |
Toremifene citrate |
|
Synonyms |
Toremifene citrate Fareston (TN) |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_9636 |
|
charge |
0 |
|
database_cross_reference |
CAS:89778-27-8 KEGG:D00967 |
|
formula |
C26H28ClNO.C6H8O7 C32H36ClNO8 |
|
has role | ||
has_exact_synonym |
Toremifene citrate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Fareston (TN) |
|
id |
CHEBI:9636 |
|
in_subset | ||
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 |
|
label |
Toremifene citrate |
|
mass |
598.084 |
|
monoisotopicmass |
597.21294 |
|
notation |
CHEBI:9636 |
|
prefLabel |
Toremifene citrate |
|
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 |
|
treeView | ||
subClassOf |
Create mapping