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Details

Stereochemistry MIXED
Molecular Formula C32H45F5O4S
Molecular Weight 620.754
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-3,17.BETA.-DIHYDROXYESTRA-1,3,5(10)-TRIEN-6-ONE

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(C=C(O)C=C4)C(=O)C(CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]23[H]

InChI

InChIKey=LJHWVATXTHUFLV-LNBIONMZSA-N
InChI=1S/C32H45F5O4S/c1-30-17-15-23-22-12-11-21(38)20-25(22)29(40)24(28(23)26(30)13-14-27(30)39)10-7-5-3-2-4-6-8-18-42(41)19-9-16-31(33,34)32(35,36)37/h11-12,20,23-24,26-28,38-39H,2-10,13-19H2,1H3/t23-,24?,26+,27+,28+,30+,42?/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H45F5O4S
Molecular Weight 620.754
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 11:14:37 UTC 2023
Edited
by admin
on Thu Jul 06 11:14:37 UTC 2023
Record UNII
98WY072U8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-3,17.BETA.-DIHYDROXYESTRA-1,3,5(10)-TRIEN-6-ONE
Systematic Name English
FULVESTRANT IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
135390804
Created by admin on Thu Jul 06 11:14:37 UTC 2023 , Edited by admin on Thu Jul 06 11:14:37 UTC 2023
PRIMARY
FDA UNII
98WY072U8M
Created by admin on Thu Jul 06 11:14:37 UTC 2023 , Edited by admin on Thu Jul 06 11:14:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP