.DELTA.6,7-FULVESTRANT

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

InChI

InChIKey=NKMFFYOPQZINKX-IGFVOJFVSA-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/h11-12,20-21,26-29,38-39H,2-10,13-19H2,1H3/t26-,27+,28+,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 05:22:43 UTC 2023` Edited by `admin` on `Sat Dec 16 05:22:43 UTC 2023`
Record UNII	52A05VPF7S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.DELTA.6,7-FULVESTRANT

Common Name

English

ESTRA-1,3,5(10),6-TETRAENE-3,17-DIOL,7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-(7.ALPHA.,17.BETA.)

Common Name

English

FULVESTRANT IMPURITY, .DELTA.6,7-FULVESTRANT- [USP IMPURITY]

Common Name

English

7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10),6-TETRAENE-3,17.BETA.-DIOL

Systematic Name

English

.DELTA.6-FULVESTRANT

Common Name

English

FULVESTRANT IMPURITY E [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

71317004

Created by admin on Sat Dec 16 05:22:44 UTC 2023 , Edited by admin on Sat Dec 16 05:22:44 UTC 2023

PRIMARY

FDA UNII

52A05VPF7S

Created by admin on Sat Dec 16 05:22:44 UTC 2023 , Edited by admin on Sat Dec 16 05:22:44 UTC 2023

PRIMARY

Related Record Type Details


					22X328QOC4

FULVESTRANT

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: