|
| ID |
DDInter789 |
| Drug Type |
small molecule |
| Molecular Formula |
C32H47F5O3S |
| Molecular Weight |
606.781
|
| Description |
Fulvestrant is an estrogen receptor antagonist used to treat HR+ breast cancer that may also be HER2-.
|
| ATC Classification |
L02BA03
|
| IUPAC Name |
(1S,3As,3Br,4R,9Bs,11As)-11A-Methyl-4-[9-(4,4,5,5,5-Pentafluoropentanesulfinyl)Nonyl]-1H,2H,3H,3Ah,3Bh,4H,5H,9Bh,10H,11H,11Ah-Cy |
| 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 |
| InChI Key |
VWUXBMIQPBEWFH-WCCTWKNTSA-N |
| Canonical SMILES |
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H] |
| Useful Links |
DrugBank
ChEMBL
PubChem
|