FULVESTRANT 17-KETONE

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 Search

SMILES

[H][C@@]12CCC(=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=C4

InChI

InChIKey=KQDQOVMMZCHGQS-YCCWCITDSA-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/h11-12,21-22,26-27,29,38H,2-10,13-20H2,1H3/t22-,26-,27+,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 `Sat Dec 16 10:51:14 UTC 2023` Edited by `admin` on `Sat Dec 16 10:51:14 UTC 2023`
Record UNII	4U9ZQ7YHR9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FULVESTRANT 17-KETONE

Common Name

English

ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-, (7.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

403656-89-3

Created by admin on Sat Dec 16 10:51:14 UTC 2023 , Edited by admin on Sat Dec 16 10:51:14 UTC 2023

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FDA UNII

4U9ZQ7YHR9

Created by admin on Sat Dec 16 10:51:14 UTC 2023 , Edited by admin on Sat Dec 16 10:51:14 UTC 2023

PRIMARY

PUBCHEM

11767210

Created by admin on Sat Dec 16 10:51:14 UTC 2023 , Edited by admin on Sat Dec 16 10:51:14 UTC 2023

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EPA CompTox

DTXSID30883085

Created by admin on Sat Dec 16 10:51:14 UTC 2023 , Edited by admin on Sat Dec 16 10:51:14 UTC 2023

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Related Record Type Details


					22X328QOC4

FULVESTRANT

PARENT -> METABOLITE LESS ACTIVE

Amount: