16-OXO-ETHINYLESTRADIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22O3
Molecular Weight	310.3869
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC(=O)[C@@]2(O)C#C

InChI

InChIKey=ZJACPGCDLFVQMY-JOMPHRNESA-N

InChI=1S/C20H22O3/c1-3-20(23)18(22)11-17-16-6-4-12-10-13(21)5-7-14(12)15(16)8-9-19(17,20)2/h1,5,7,10,15-17,21,23H,4,6,8-9,11H2,2H3/t15-,16-,17+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H22O3
Molecular Weight	310.3869
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 `Mon Mar 31 21:25:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:25:17 GMT 2025`
Record UNII	HTC87NA4WY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16-OXO-ETHINYLESTRADIOL

Common Name

English

16-OXO-ETHINYL ESTRADIOL

Preferred Name

English

ETHINYLESTRADIOL IMPURITY H [EP IMPURITY]

Common Name

English

19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-16-ONE, 3,17-DIHYDROXY-, (17.ALPHA.)-

Common Name

English

3,17-DIHYDROXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-16-ONE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10159230

Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025

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CAS

1350468-76-6

Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025

PRIMARY

FDA UNII

HTC87NA4WY

Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025

PRIMARY

PUBCHEM

71587986

Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025

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ETHINYL ESTRADIOL

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