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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O3
Molecular Weight 312.4028
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYETHINYLESTRADIOL

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(O)=C4

InChI

InChIKey=KQJCDKMHNQVWDV-BKRJIHRRSA-N
InChI=1S/C20H24O3/c1-3-20(23)9-7-16-14-5-4-12-10-17(21)18(22)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,21-23H,4-9H2,2H3/t13-,14+,16-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24O3
Molecular Weight 312.4028
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Mechanism-based inactivation of cytochrome P450 3A4 by 17 alpha-ethynylestradiol: evidence for heme destruction and covalent binding to protein.
2002 Apr
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:48:43 UTC 2023
Edited
by admin
on Sat Dec 16 08:48:43 UTC 2023
Record UNII
L6WVG03IXG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXYETHINYLESTRADIOL
Common Name English
2-HYDROXY-17.ALPHA.-ETHYNYL-17.BETA.-ESTRADIOL
Common Name English
2-HYDROXY-17.ALPHA.-ETHYNYLESTRADIOL
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-2,3,17-TRIOL, (17.ALPHA.)-
Common Name English
Code System Code Type Description
CAS
50394-89-3
Created by admin on Sat Dec 16 08:48:43 UTC 2023 , Edited by admin on Sat Dec 16 08:48:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID80964651
Created by admin on Sat Dec 16 08:48:43 UTC 2023 , Edited by admin on Sat Dec 16 08:48:43 UTC 2023
PRIMARY
FDA UNII
L6WVG03IXG
Created by admin on Sat Dec 16 08:48:43 UTC 2023 , Edited by admin on Sat Dec 16 08:48:43 UTC 2023
PRIMARY
PUBCHEM
40561832
Created by admin on Sat Dec 16 08:48:43 UTC 2023 , Edited by admin on Sat Dec 16 08:48:43 UTC 2023
PRIMARY
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