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Details

Stereochemistry EPIMERIC
Molecular Formula C38H55F5O9S
Molecular Weight 782.895
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FULVESTRANT 3-.BETA.-D-GLUCURONIDE

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]23[H])C=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4

InChI

InChIKey=RSOPWVCNVAHMQZ-HMGPPUQISA-N
InChI=1S/C38H55F5O9S/c1-36-17-15-26-25-12-11-24(51-35-32(47)30(45)31(46)33(52-35)34(48)49)21-23(25)20-22(29(26)27(36)13-14-28(36)44)10-7-5-3-2-4-6-8-18-53(50)19-9-16-37(39,40)38(41,42)43/h11-12,21-22,26-33,35,44-47H,2-10,13-20H2,1H3,(H,48,49)/t22-,26-,27+,28+,29-,30+,31+,32-,33+,35-,36+,53?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FULVESTRANT 3-.BETA.-D-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (7.ALPHA.,17.BETA.)-17-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIEN-3-YL
Systematic Name English
Code System Code Type Description
FDA UNII
RB33MP5RCR
Created by admin on Sat Dec 16 10:51:15 GMT 2023 , Edited by admin on Sat Dec 16 10:51:15 GMT 2023
PRIMARY
PUBCHEM
11072768
Created by admin on Sat Dec 16 10:51:15 GMT 2023 , Edited by admin on Sat Dec 16 10:51:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID70454112
Created by admin on Sat Dec 16 10:51:15 GMT 2023 , Edited by admin on Sat Dec 16 10:51:15 GMT 2023
PRIMARY
CAS
261506-27-8
Created by admin on Sat Dec 16 10:51:15 GMT 2023 , Edited by admin on Sat Dec 16 10:51:15 GMT 2023
PRIMARY