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Estetrol

CAT: 1410-M33354-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33354-01Size:5 mg
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Description
Estetrol (Donesta) is an orally available, selective modulator of the estrogen receptor, a naturally occurring estrogen synthesized by the human fetal liver during pregnancy.Estetrol has effects on the endometrium or central nervous system, but is antagonistic to the breast.Estetrol may help to reduce thrombosis at low concentrations. Estetrol may be used to relieve menopausal symptoms.
CAS Number
15183-37-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
304.38
Molecular Weight
C18H24O4
Notes
Research use only, not for human use.
Receptor
Endogenous Metabolite | Estrogen Receptor/ERR

Chemical Information

Estetrol

Estetrol is a 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver. It has a role as an oral contraceptive, an estrogen, an estrogen receptor agonist, a human xenobiotic metabolite and a human metabolite. It is a 16alpha-hydroxy steroid, a steroid hormone, a 17beta-hydroxy steroid, a 3-hydroxy steroid and a 15alpha-hydroxy steroid. It derives from a hydride of an estrane.

CAS Number15183-37-6
PubChem CID27125
IUPAC Name(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
Molecular FormulaC18H24O4
Molecular Weight304.4
XLogP1.5
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity441
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H]([C@H]([C@@H]2O)O)O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1
InChIKey
AJIPIJNNOJSSQC-NYLIRDPKSA-N
Chemical Structure
2D Structure
2D structure of Estetrol
CAS: 15183-37-6
CID: 27125
Formula: C18H24O4
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass304.16745924
Monoisotopic Mass304.16745924
Topological Polar Surface Area80.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS6068330-01Estetrol
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A21291-50Estetrol 50mg
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A21291-25Estetrol 25mg
448462-01Estetrol-d3
A21291-10Estetrol 10mg
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