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Dienestrol diacetate

CAT: 0804-HY-124882Size: 1 EachDry Ice: NoHazardous: No
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Description
Dienestrol diacetate is a synthetic nonsteroidal phenolic compound with estrogenic activity. Dienestrol diacetate can mimic the effects of estrogen in vivo, affecting the reproductive system and other related biological processes. Dienestrol diacetate is being studied for the inhibition of hormone-related diseases, such as estrogen deficiency. Dienestrol diacetate's potential applications also include possible use in hormone replacement therapy[1].
CAS Number
84-19-5
UNSPSC
12352005
Hazard Statement
H351
Target
Estrogen Receptor/ERR
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/dienestrol-diacetate.html
Smiles
O=C(C)OC1=CC=C(C(/C(C2=CC=C(C=C2)OC(C)=O)=C/C)=C\C)C=C1
Molecular Formula
C22H22O4
Molecular Weight
350.41
Precautions
P405-P501
References & Citations
[1][Simultaneous determination of nine estrogens in bullfrogs using filtered solid phase extraction and ultra-performance liquid chromatography-tandem mass spectrometry]
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dienestrol diacetate

a derivative of the synthetic non-steroid phenolic compound, DIENESTROL, which exhibits estrogenic activities

CAS Number84-19-5
PubChem CID5805243
IUPAC Name[4-[(2E,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
Molecular FormulaC22H22O4
Molecular Weight350.4
XLogP5.6
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity494
SMILES
C/C=C(/C(=C/C)/C1=CC=C(C=C1)OC(=O)C)\C2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3/b21-5+,22-6+
InChIKey
YWLLGDVBTLPARJ-OXAZHYLESA-N
Chemical Structure
2D Structure
2D structure of Dienestrol diacetate
CAS: 84-19-5
CID: 5805243
Formula: C22H22O4
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass350.15180918
Monoisotopic Mass350.15180918
Topological Polar Surface Area52.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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