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Details

Stereochemistry MIXED
Molecular Formula C45H64O4
Molecular Weight 668.9873
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,7'-NONANE-1,9-DIYLBIS(ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL)

SMILES

[H][C@]1(O)CC[C@@]2([H])[C@]3([H])C(CCCCCCCCCC4CC5=C(C=CC(O)=C5)[C@@]6([H])CC[C@]7(C)[C@@]([H])(O)CC[C@@]7([H])[C@]46[H])CC8=C(C=CC(O)=C8)[C@@]3([H])CC[C@]12C

InChI

InChIKey=ANOZSHMJXXOZIR-REDLLZNISA-N
InChI=1S/C45H64O4/c1-44-22-20-36-34-14-12-32(46)26-30(34)24-28(42(36)38(44)16-18-40(44)48)10-8-6-4-3-5-7-9-11-29-25-31-27-33(47)13-15-35(31)37-21-23-45(2)39(43(29)37)17-19-41(45)49/h12-15,26-29,36-43,46-49H,3-11,16-25H2,1-2H3/t28?,29?,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H64O4
Molecular Weight 668.9873
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 11:08:00 UTC 2023
Edited
by admin
on Thu Jul 06 11:08:00 UTC 2023
Record UNII
6392824468
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,7'-NONANE-1,9-DIYLBIS(ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL)
Common Name English
FULVESTRANT IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
71751158
Created by admin on Thu Jul 06 11:08:00 UTC 2023 , Edited by admin on Thu Jul 06 11:08:00 UTC 2023
PRIMARY
FDA UNII
6392824468
Created by admin on Thu Jul 06 11:08:00 UTC 2023 , Edited by admin on Thu Jul 06 11:08:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.7
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP