FULVESTRANT SULFONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H47F5O4S
Molecular Weight	622.77
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(C[C@@H](CCCCCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=NQYWBGDKCPOMGL-LSVBPWPTSA-N

InChI=1S/C32H47F5O4S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-42(40,41)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H47F5O4S
Molecular Weight	622.77
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:14:53 UTC 2023` Edited by `admin` on `Sat Dec 16 05:14:53 UTC 2023`
Record UNII	55928538EN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FULVESTRANT SULFONE

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)-, (7.ALPHA.,17.BETA.)-

Systematic Name

English

FULVESTRANT IMPURITY, FULVESTRANT SULFONE- [USP IMPURITY]

Common Name

English

FULVESTRANT IMPURITY B [EP IMPURITY]

Common Name

English

7.ALPHA.-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL

Systematic Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL,7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)-(7.ALPHA.,17.BETA.)

Common Name

English

Code System Code Type Description

FDA UNII

55928538EN

Created by admin on Sat Dec 16 05:14:53 UTC 2023 , Edited by admin on Sat Dec 16 05:14:53 UTC 2023

PRIMARY

PUBCHEM

10461567

Created by admin on Sat Dec 16 05:14:53 UTC 2023 , Edited by admin on Sat Dec 16 05:14:53 UTC 2023

PRIMARY

EPA CompTox

DTXSID90243368

Created by admin on Sat Dec 16 05:14:53 UTC 2023 , Edited by admin on Sat Dec 16 05:14:53 UTC 2023

PRIMARY

CAS

98008-06-1

Created by admin on Sat Dec 16 05:14:53 UTC 2023 , Edited by admin on Sat Dec 16 05:14:53 UTC 2023

PRIMARY

Related Record Type Details


					22X328QOC4

FULVESTRANT

PARENT -> METABOLITE

Amount:


					WJ34L4WA5M

FULVESTRANT 3-SULFATE

METABOLITE -> PARENT

Related Record Type Details


					22X328QOC4

FULVESTRANT

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: