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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18O2
Molecular Weight 266.3343
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EQUILENIN

SMILES

C[C@]12CCC3=C(C=CC4=C3C=CC(O)=C4)[C@@H]1CCC2=O

InChI

InChIKey=PDRGHUMCVRDZLQ-WMZOPIPTSA-N
InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18O2
Molecular Weight 266.3343
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
The naphthol selective estrogen receptor modulator (SERM), LY2066948, is oxidized to an o-quinone analogous to the naphthol equine estrogen, equilenin.
2012-03-05
Determination of endocrine disrupting compounds using temperature-dependent inclusion chromatography: I. Optimization of separation protocol.
2009-10-30
[Development of novel type of transition metal-catalyzed cascade reactions utilizing small ring systems and the applications].
2004-07
The conserved cis-Pro39 residue plays a crucial role in the proper positioning of the catalytic base Asp38 in ketosteroid isomerase from Comamonas testosteroni.
2003-10-15
Contribution of conserved amino acids at the dimeric interface to the conformational stability and the structural integrity of the active site in ketosteroid isomerase from Pseudomonas putida biotype B.
2003-07
Effect of halogenated substituents on the metabolism and estrogenic effects of the equine estrogen, equilenin.
2003-06
Simultaneous azo-coupling method for an estrogen sulfatase in human tissues.
1983
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:53:19 GMT 2025
Edited
by admin
on Mon Mar 31 17:53:19 GMT 2025
Record UNII
W8FTJ17C4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EQUILENIN
MI  
Common Name English
NSC-9901
Preferred Name English
3-HYDROXYESTRA-1,3,5,7,9-PENTAEN-17-ONE
Systematic Name English
EQUILENIN [MI]
Common Name English
Code System Code Type Description
FDA UNII
W8FTJ17C4J
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
MERCK INDEX
m4969
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID2052156
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
WIKIPEDIA
EQUILENIN
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
NSC
9901
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
CHEBI
34739
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
DRUG BANK
DB03515
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
SMS_ID
300000053394
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
PUBCHEM
444865
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
CAS
517-09-9
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-230-5
Created by admin on Mon Mar 31 17:53:19 GMT 2025 , Edited by admin on Mon Mar 31 17:53:19 GMT 2025
PRIMARY