Preferred Name

fulvestrant

Synonyms

ICI-182780

(7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol

ICI 182780

fulvestrantum

Faslodex

7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol

fulvestrant

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A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group.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

PMID:19369092

Wikipedia:Fulvestrant

KEGG:D01161

PMID:21319872

PMID:21699443

PMID:25720568

CAS:129453-61-8

Drug_Central:1255

LINCS:LSM-6504

DrugBank:DB00947

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A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group.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 parent hydride

http://purl.obolibrary.org/obo/CHEBI_23966

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_50792

http://purl.obolibrary.org/obo/CHEBI_50837

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

ICI-182780

(7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol

ICI 182780

fulvestrantum

Faslodex

fulvestrant

id

CHEBI:31638

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

treeView

http://purl.obolibrary.org/obo/CHEBI_22063

http://purl.obolibrary.org/obo/CHEBI_35343

http://purl.obolibrary.org/obo/CHEBI_36834

http://purl.obolibrary.org/obo/CHEBI_37143

subClassOf

http://purl.obolibrary.org/obo/CHEBI_22063

http://purl.obolibrary.org/obo/CHEBI_35343

http://purl.obolibrary.org/obo/CHEBI_36834

http://purl.obolibrary.org/obo/CHEBI_37143

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Delete Mapping To Ontology Source
http://www.drugbank.ca/drugs/DB00947 FTC LOOM
http://purl.bioontology.org/ontology/NDDF/009642 NDDF LOOM
http://purl.obolibrary.org/obo/DRON_00018972 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018972 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018972 DRON LOOM
http://purl.bioontology.org/ontology/MESH/D000077267 MESH LOOM
http://purl.bioontology.org/ontology/UATC/L02BA03 ATC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/385519002 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 CCONT SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 NIFSTD SAME_URI
http://purl.bioontology.org/ontology/NDFRT/N0000148770 NDFRT LOOM
http://purl.bioontology.org/ontology/RXNORM/282357 RXNORM LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043053 PDQ LOOM
http://purl.bioontology.org/ontology/VANDF/4021350 VANDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1379 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1379 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1379 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C070081 RH-MESH LOOM