Preferred Name |
fulvestrant |
|
Synonyms |
7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol fulvestrantum (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol fulvestrant ICI-182780 ICI 182780 Faslodex |
|
Definitions |
A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_31638 |
|
charge |
0 |
|
database_cross_reference |
SNOMEDCT:404845006 SNOMEDCT:385519002 MeSH:C070081 NCIt:C1379 Drug_Central:1255 PMID:25720568 PMID:21699443 LINCS:LSM-6504 CAS:129453-61-8 KEGG:D01161 DrugBank:DB00947 PMID:21319872 Wikipedia:Fulvestrant PMID:19369092 PMID:18683044 |
|
definition |
A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. |
|
formula |
C32H47F5O3S |
|
has_alternative_id |
CHEBI:87729 |
|
has_exact_synonym |
7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
fulvestrantum (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol fulvestrant ICI-182780 ICI 182780 Faslodex |
|
id |
CHEBI:31638 |
|
in_subset | ||
inchi |
InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 |
|
inchikey |
VWUXBMIQPBEWFH-WCCTWKNTSA-N |
|
label |
fulvestrant |
|
mass |
606.773 |
|
monoisotopicmass |
606.31661 |
|
notation |
CHEBI:31638 |
|
prefLabel |
fulvestrant |
|
smiles |
C=1C=C(C=C2C1[C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)[H])[H])O)C)[H])O |
|
subClassOf |