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Details

Stereochemistry EPIMERIC
Molecular Formula C32H45F5O3S
Molecular Weight 604.755
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.6,7-FULVESTRANT

SMILES

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

InChI

InChIKey=NKMFFYOPQZINKX-IGFVOJFVSA-N
InChI=1S/C32H45F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,20-21,26-29,38-39H,2-10,13-19H2,1H3/t26-,27+,28+,29-,30+,41?/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H45F5O3S
Molecular Weight 604.755
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 11:08:01 UTC 2023
Edited
by admin
on Thu Jul 06 11:08:01 UTC 2023
Record UNII
52A05VPF7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.6,7-FULVESTRANT
Common Name English
ESTRA-1,3,5(10),6-TETRAENE-3,17-DIOL,7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-(7.ALPHA.,17.BETA.)
Common Name English
FULVESTRANT IMPURITY, .DELTA.6,7-FULVESTRANT- [USP IMPURITY]
Common Name English
7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10),6-TETRAENE-3,17.BETA.-DIOL
Systematic Name English
.DELTA.6-FULVESTRANT
Common Name English
FULVESTRANT IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
71317004
Created by admin on Thu Jul 06 11:08:01 UTC 2023 , Edited by admin on Thu Jul 06 11:08:01 UTC 2023
PRIMARY
FDA UNII
52A05VPF7S
Created by admin on Thu Jul 06 11:08:01 UTC 2023 , Edited by admin on Thu Jul 06 11:08:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP