Preferred Name |
tamoxifen |
|
Synonyms |
|
|
ID |
http://purl.obolibrary.org/obo/CHEBI_41774 |
|
charge |
0 |
|
formula |
C26H29NO |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50739 http://purl.obolibrary.org/obo/CHEBI_37700 http://purl.obolibrary.org/obo/CHEBI_50646 http://purl.obolibrary.org/obo/CHEBI_62872 http://purl.obolibrary.org/obo/CHEBI_50837 |
|
has_parent_hydride | ||
inchi |
InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- |
|
inchikey |
NKANXQFJJICGDU-QPLCGJKRSA-N |
|
label |
tamoxifen |
|
mass |
371.51460 |
|
monoisotopicmass |
371.22491 |
|
prefixIRI |
CHEBI:41774 |
|
prefLabel |
tamoxifen |
|
smiles |
CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 |
|
subClassOf |
Create mapping