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Details

Stereochemistry MIXED
Molecular Formula C41H65F5O4S2
Molecular Weight 781.074
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRA-1,3,5(10)-TRIENE-3,17-DIOL,7-(9-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYLSULFINYL)NONYL), (7.ALPHA.,17.BETA.)-

SMILES

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

InChI

InChIKey=LIYGRWMJKJPHDO-FHFMJMAWSA-N
InChI=1S/C41H65F5O4S2/c1-39-24-22-35-34-19-18-33(47)30-32(34)29-31(38(35)36(39)20-21-37(39)48)17-12-8-4-2-5-9-13-25-51(49)26-14-10-6-3-7-11-15-27-52(50)28-16-23-40(42,43)41(44,45)46/h18-19,30-31,35-38,47-48H,2-17,20-29H2,1H3/t31-,35-,36+,37+,38-,39+,51?,52?/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H65F5O4S2
Molecular Weight 781.074
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 10:47:39 UTC 2023
Edited
by admin
on Thu Jul 06 10:47:39 UTC 2023
Record UNII
39AEN025PJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL,7-(9-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYLSULFINYL)NONYL), (7.ALPHA.,17.BETA.)-
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL,7-(9-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYLSULFINYL)NONYL)-(7.ALPHA.,17.BETA.)
Common Name English
FULVESTRANT IMPURITY, FULVESTRANT EXTENDED- [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
39AEN025PJ
Created by admin on Thu Jul 06 10:47:40 UTC 2023 , Edited by admin on Thu Jul 06 10:47:40 UTC 2023
PRIMARY
PUBCHEM
121492000
Created by admin on Thu Jul 06 10:47:40 UTC 2023 , Edited by admin on Thu Jul 06 10:47:40 UTC 2023
PRIMARY
Related Record Type Details
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