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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O5S
Molecular Weight 376.4684
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYNYL ESTRADIOL 17-SULFATE

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(ccc4[C@@]3([H])CC[C@@]21C)O)OS(=O)(=O)O

InChI

InChIKey=JHKCCDZKVDAGJH-SLHNCBLASA-N
InChI=1S/C20H24O5S/c1-3-20(25-26(22,23)24)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24O5S
Molecular Weight 376.4684
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 Jun 26 10:27:11 UTC 2021
Edited
by admin
on Sat Jun 26 10:27:11 UTC 2021
Record UNII
SIU5G557TZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYNYL ESTRADIOL 17-SULFATE
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 17-(HYDROGEN SULFATE), (17.ALPHA.)-
Systematic Name English
ETHINYLESTRADIOL-17-SULFATE
Common Name English
Code System Code Type Description
CAS
75803-36-0
Created by admin on Sat Jun 26 10:27:11 UTC 2021 , Edited by admin on Sat Jun 26 10:27:11 UTC 2021
PRIMARY
FDA UNII
SIU5G557TZ
Created by admin on Sat Jun 26 10:27:11 UTC 2021 , Edited by admin on Sat Jun 26 10:27:11 UTC 2021
PRIMARY
PUBCHEM
67091
Created by admin on Sat Jun 26 10:27:11 UTC 2021 , Edited by admin on Sat Jun 26 10:27:11 UTC 2021
PRIMARY
Related Record Type Details
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