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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H47F5O2S
Molecular Weight 590.771
Optical Activity ( + )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Deoxo Fulvestrant, S-

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4C[C@@H](CCCCCCCCCSCCCC(F)(F)C(F)(F)F)[C@@]23[H]

InChI

InChIKey=BVAUHWMMAVAPFK-LSVBPWPTSA-N
InChI=1S/C32H47F5O2S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-40-19-9-16-31(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+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Deoxo Fulvestrant, S-
Common Name English
S-Deoxo Fulvestrant
Common Name English
DTXSID-50462159
Code English
(7α,17β)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]estra-1,3,5(10)-triene-3,17-diol
Systematic Name English
7α-[9-(4,4,5,5,5-Pentafluoropentylsulfanyl)nonyl]estra-1,3,5(10)-triene-3,17β-diol
Systematic Name English
(7α,17β)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol
Systematic Name English
(7R,8R,9S,13S,14S,17S)-13-Methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Systematic Name English
Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-, (7α,17β)-
Systematic Name English
Code System Code Type Description
CAS
153004-31-0
Created by admin on Sat Dec 16 19:52:24 GMT 2023 , Edited by admin on Sat Dec 16 19:52:24 GMT 2023
PRIMARY
PUBCHEM
11319305
Created by admin on Sat Dec 16 19:52:24 GMT 2023 , Edited by admin on Sat Dec 16 19:52:24 GMT 2023
PRIMARY
FDA UNII
Z5Q4JM4PHD
Created by admin on Sat Dec 16 19:52:24 GMT 2023 , Edited by admin on Sat Dec 16 19:52:24 GMT 2023
PRIMARY