Fulvestrant

CAS Registry Number®

129453-61-8

CAS Name

Fulvestrant

Molecular Formula

C32H47F5O3S

Molecular Mass

606.77

Cite this Page

Fulvestrant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129453-61-8 (retrieved 2024-11-24) (CAS RN: 129453-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104-112 °C

Source(s)

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

View All

Deleted or Replaced CAS Registry Numbers

1942815-77-1