Deoxo Fulvestrant, S-

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 Search

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCSCCCC(F)(F)C(F)(F)F)CC4=CC(O)=CC=C34

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

Molecular Formula	C32H47F5O2S
Molecular Weight	590.771
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:31:14 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:14 GMT 2025`
Record UNII	Z5Q4JM4PHD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Deoxo Fulvestrant, S-

Common Name

English

DTXSID-50462159

Preferred Name

English

S-Deoxo Fulvestrant

Common Name

English

(7?,17?)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]estra-1,3,5(10)-triene-3,17-diol

Systematic Name

English

7?-[9-(4,4,5,5,5-Pentafluoropentylsulfanyl)nonyl]estra-1,3,5(10)-triene-3,17?-diol

Systematic Name

English

(7?,17?)-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]-, (7?,17?)-

Systematic Name

English

Code System Code Type Description

CAS

153004-31-0

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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PUBCHEM

11319305

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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EPA CompTox

DTXSID50462159

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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FDA UNII

Z5Q4JM4PHD

Created by admin on Wed Apr 02 17:31:14 GMT 2025 , Edited by admin on Wed Apr 02 17:31:14 GMT 2025

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