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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H44O6S
Molecular Weight 532.732
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Estra-1,3,5(10),6-tetraene-3,17-diol, 7-[9-[(methylsulfonyl)oxy]nonyl]-, 17-acetate, (17β)-

SMILES

[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4C=C(CCCCCCCCCOS(C)(=O)=O)[C@@]23[H]

InChI

InChIKey=YVYCILZBRIMYLQ-QBHLCAJUSA-N
InChI=1S/C30H44O6S/c1-21(31)36-28-15-14-27-29-22(11-9-7-5-4-6-8-10-18-35-37(3,33)34)19-23-20-24(32)12-13-25(23)26(29)16-17-30(27,28)2/h12-13,19-20,26-29,32H,4-11,14-18H2,1-3H3/t26-,27+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Estra-1,3,5(10),6-tetraene-3,17-diol, 7-[9-[(methylsulfonyl)oxy]nonyl]-, 17-acetate, (17β)-
Systematic Name English
Fulvestrant Impurity 4
Common Name English
Code System Code Type Description
CAS
1621885-82-2
Created by admin on Sat Dec 16 19:52:24 GMT 2023 , Edited by admin on Sat Dec 16 19:52:24 GMT 2023
PRIMARY
FDA UNII
C9QYC2UA5W
Created by admin on Sat Dec 16 19:52:24 GMT 2023 , Edited by admin on Sat Dec 16 19:52:24 GMT 2023
PRIMARY