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Ethisterone

CAT: 0013-GTR19162215-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162215-01Size:100 mg
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Description
Ethisterone is a progestogen hormone being considered to treat prostate Y.
CAS Number
434-03-7
Product Name Alternative
Aethisteron | NSC 9565 | NSC-9565 | NSC9565 | Progestoral | Ethisterone
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 0.05 mg/mL (0.16 mM)
Smiles
O=C1CC[C@]2 (C) [C@@]3 ([H]) CC[C@]4 (C) [C@@] (C#C) (O) CC[C@@]4 ([H]) [C@]3 ([H]) CCC2=C1
Molecular Formula
C21H28O2
Molecular Weight
312.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(8R,9S,10R,13S,14S,17R) -17-ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

Ethisterone

Ethisterone is a 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. It has a role as a drug metabolite and a progestin. It is a tertiary alcohol, a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and a terminal acetylenic compound. It is functionally related to a testosterone.

CAS Number434-03-7
PubChem CID5284557
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O2
Molecular Weight312.4
XLogP3.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity637
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C
InChI
InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey
CHNXZKVNWQUJIB-CEGNMAFCSA-N
Chemical Structure
2D Structure
2D structure of Ethisterone
CAS: 434-03-7
CID: 5284557
Formula: C21H28O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass312.208930132
Monoisotopic Mass312.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
011428Ethisterone

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