17.BETA.-ETHINYLESTRADIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24O2
Molecular Weight	296.4034
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=BFPYWIDHMRZLRN-SWBPCFCJSA-N

InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H24O2
Molecular Weight	296.4034
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor 75 Target ID: CHEMBL2093866 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10543024 \| https://www.trc-canada.com/product-detail/?CatNum=E685095	Binding Agent 1064

PubMed

Title	Date	PubMed
Increased mitochondrial superoxide production in rat liver mitochondria, rat hepatocytes, and HepG2 cells following ethinyl estradiol treatment.	1999 Oct	10543024

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:03:19 GMT 2023` Edited by `admin` on `Sat Dec 16 01:03:19 GMT 2023`
Record UNII	II522L1IMZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17.BETA.-ETHINYLESTRADIOL

Common Name

English

(+)-17.BETA.-ETHYNYLESTRADIOL

Common Name

English

ETHINYLESTRADIOL IMPURITY A [EP IMPURITY]

Common Name

English

17.ALPHA.-ESTRADIOL, 17-ETHYNYL

Common Name

English

17-EPI-ETHYNYLESTRADIOL

Common Name

English

17.BETA.-ETHINYL ESTRADIOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00873493

Created by admin on Sat Dec 16 01:03:20 GMT 2023 , Edited by admin on Sat Dec 16 01:03:20 GMT 2023

PRIMARY

PUBCHEM

145760

Created by admin on Sat Dec 16 01:03:20 GMT 2023 , Edited by admin on Sat Dec 16 01:03:20 GMT 2023

PRIMARY

FDA UNII

II522L1IMZ

Created by admin on Sat Dec 16 01:03:20 GMT 2023 , Edited by admin on Sat Dec 16 01:03:20 GMT 2023

PRIMARY

CAS

4717-38-8

Created by admin on Sat Dec 16 01:03:20 GMT 2023 , Edited by admin on Sat Dec 16 01:03:20 GMT 2023

PRIMARY

Related Record Type Details


					423D2T571U

ETHINYL ESTRADIOL

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: