U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H47F5O4S
Molecular Weight 622.77
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FULVESTRANT SULFONE

SMILES

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

InChI

InChIKey=NQYWBGDKCPOMGL-LSVBPWPTSA-N
InChI=1S/C32H47F5O4S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-42(40,41)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 C32H47F5O4S
Molecular Weight 622.77
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Genistein modulates the effects of parathyroid hormone in human osteoblastic SaOS-2 cells.
2006 Jun
Patents

Patents

Substance Class Chemical
Created
by admin
on Thu Jul 06 11:01:31 UTC 2023
Edited
by admin
on Thu Jul 06 11:01:31 UTC 2023
Record UNII
55928538EN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FULVESTRANT SULFONE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)-, (7.ALPHA.,17.BETA.)-
Systematic Name English
FULVESTRANT IMPURITY, FULVESTRANT SULFONE- [USP IMPURITY]
Common Name English
FULVESTRANT IMPURITY B [EP IMPURITY]
Common Name English
7.ALPHA.-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL,7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)-(7.ALPHA.,17.BETA.)
Common Name English
Code System Code Type Description
FDA UNII
55928538EN
Created by admin on Thu Jul 06 11:01:31 UTC 2023 , Edited by admin on Thu Jul 06 11:01:31 UTC 2023
PRIMARY
PUBCHEM
10461567
Created by admin on Thu Jul 06 11:01:31 UTC 2023 , Edited by admin on Thu Jul 06 11:01:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID90243368
Created by admin on Thu Jul 06 11:01:31 UTC 2023 , Edited by admin on Thu Jul 06 11:01:31 UTC 2023
PRIMARY
CAS
98008-06-1
Created by admin on Thu Jul 06 11:01:31 UTC 2023 , Edited by admin on Thu Jul 06 11:01:31 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP