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Details

Stereochemistry MIXED
Molecular Formula C41H65F5O4S2
Molecular Weight 781.074
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=LIYGRWMJKJPHDO-OJKKUXCPSA-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 EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:14:54 GMT 2023
Edited
by admin
on Sat Dec 16 05:14:54 GMT 2023
Record UNII
OMU8ZM6O3U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(9-((9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
Common Name English
FULVESTRANT IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
OMU8ZM6O3U
Created by admin on Sat Dec 16 05:14:54 GMT 2023 , Edited by admin on Sat Dec 16 05:14:54 GMT 2023
PRIMARY
PUBCHEM
71751488
Created by admin on Sat Dec 16 05:14:54 GMT 2023 , Edited by admin on Sat Dec 16 05:14:54 GMT 2023
PRIMARY
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