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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O3
Molecular Weight 288.382
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL PARAQUINOL

SMILES

C[C@@]12CC[C@@]3([H])[C@@]([H])(CCC4=CC(=O)C=C[C@@]43O)[C@]2([H])CC[C@]1([H])O

InChI

InChIKey=UIKDFTLKOKNUJP-UGDFAFBOSA-N
InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16-,17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H24O3
Molecular Weight 288.382
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:42:26 UTC 2021
Edited
by admin
on Fri Jun 25 20:42:26 UTC 2021
Record UNII
UR9WW8CA3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL PARAQUINOL
Common Name English
DHED
Common Name English
ESTRA-1,4-DIEN-3-ONE, 10,17-DIHYDROXY-, (17.BETA.)-
Systematic Name English
P-ESTRAQUINOL, 17.BETA.-HYDROXY-
Systematic Name English
10.BETA.,17.BETA.-DIHYDROXYESTRA-1,4-DIEN-3-ONE
Common Name English
(17.BETA.)-10,17-DIHYDROXYESTRA-1,4-DIEN-3-ONE
Systematic Name English
Code System Code Type Description
CAS
549-02-0
Created by admin on Fri Jun 25 20:42:26 UTC 2021 , Edited by admin on Fri Jun 25 20:42:26 UTC 2021
PRIMARY
FDA UNII
UR9WW8CA3J
Created by admin on Fri Jun 25 20:42:26 UTC 2021 , Edited by admin on Fri Jun 25 20:42:26 UTC 2021
PRIMARY
PUBCHEM
11851170
Created by admin on Fri Jun 25 20:42:26 UTC 2021 , Edited by admin on Fri Jun 25 20:42:26 UTC 2021
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG