loading...| Preferred Name |
fulvestrant |
|
| Synonyms |
7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol (1S,9R,11S,14S,15S)-15-methyl-9-{9-[(4,4,5,5,5-pentafluoropentane)sulfinyl]nonyl}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol fulvestrant C32H47F5O3S |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31638 |
|
| AHFScode |
10:00.00 |
|
| ATCCode |
L02BA03 |
|
| blocks | ||
| CASRN |
129453-61-8 |
|
| DBBrand |
faslodex |
|
| DBname |
fulvestrant |
|
| DBSynonym |
ici 182,780 |
|
| Definition |
A 3-hydroxy steroid that has formula C32H47F5O3S. |
|
| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| 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 |
InChIKey=VWUXBMIQPBEWFH-LQKBAPIOSA-N |
|
| is metabolised by | ||
| label |
fulvestrant |
|
| prefixIRI |
obo2:CHEBI_31638 |
|
| prefLabel |
fulvestrant |
|
| SMILES |
[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])C1[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc21 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])C2[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC2=CC(O)=CC=C12 |
|
| Synonym |
7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol (1S,9R,11S,14S,15S)-15-methyl-9-{9-[(4,4,5,5,5-pentafluoropentane)sulfinyl]nonyl}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol fulvestrant C32H47F5O3S |
|
| xref |
ChEMBL:1192977 Wikipedia:http://en.wikipedia.org/wiki/Fulvestrant DrugBank:DB00947 IUPHAR:1015 Guide To Pharmacology:1015 PharmGKB:PA164747170 KEGG DRUG:D01161 Drugs.com:http://www.drugs.com/cdi/fulvestrant.html RxList:http://www.rxlist.com/cgi/generic/faslodex.htm Drugs Product Database (DPD):2248624 BindingDB:50169743 National Drug Code Directory:0310-0720-50 ChEBI:31638 CASRN:129453-61-8 |
|
| subClassOf |