CAS Registry Number®
129453-61-8
CAS Name
Fulvestrant
Molecular Formula
C32H47F5O3S
Molecular Mass
606.77
Compound Properties
-
Melting Point (1)
104-112 °C
Source(s)
- (1) Brazier, Eve J.; Organic Process Research & Development, (2010), 14(3), 544-552, CAplus
Other Names and Identifiers
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-WCCTWKNTSA-N
SMILES
C(CCCCCCCCS(CCCC(C(F)(F)F)(F)F)=O)[C@H]1[C@@]2([C@@](C=3C(C1)=CC(O)=CC3)(CC[C@@]4(C)[C@]2(CC[C@@H]4O)[H])[H])[H]
Canonical SMILES
O=S(CCCCCCCCCC1CC2=CC(O)=CC=C2C3CCC4(C)C(O)CCC4C31)CCCC(F)(F)C(F)(F)F
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7α,17β)-
- (7α,17β)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol
- ICI 182780
- ZD 182780
- Fulvestrant
- ZM 182780
- Faslodex
- ZD 9238
- ICI 182-780
Deleted or Replaced CAS Registry Numbers
1942815-77-1
