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Ethynodiol diacetate

CAT: 0013-GTR19177378-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177378-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethynodiol diacetate is a synthetic progestin employed in hormonal contraception, often combined with estrogens. It is utilized in biochemical research to study progestogenic activity and hormone receptor interactions in both in vitro cellular assays and in vivo pharmacological models.
CAS Number
297-76-7
Product Name Alternative
ProgestogenReceptor, ProgesteroneReceptor, progestogen Receptor, Progesterone Receptor, 8080 CB, Inhibitor, Estrogen Receptor, EstrogenReceptor, Ethynodiol, Ethynodiol acetate, Ethynodiol Acetate, Ethynodiol diacetate, Ethynodiol Diacetate, ER, inhibit, NR3C3
Field of Research
Metabolism Research
Purity
99.48% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (8.58 mM) ; DMSO:40 mg/mL (104.03 mM)
Smiles
[H][C@@]12CC[C@@] (OC (C) =O) (C#C) [C@@]1 (C) CC[C@]1 ([H]) [C@@]3 ([H]) CC[C@H] (OC (C) =O) C=C3CC[C@@]21[H]
Molecular Formula
C24H32O4
Molecular Weight
384.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethynodiol Diacetate

Ethynodiol diacetate is a steroid ester and a terminal acetylenic compound. It has a role as a contraceptive drug, a synthetic oral contraceptive and an estrogen receptor modulator. It is functionally related to an ethynodiol.

CAS Number297-76-7
PubChem CID9270
IUPAC Name[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular FormulaC24H32O4
Molecular Weight384.5
XLogP3.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity758
SMILES
CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)OC(=O)C)C
InChI
InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChIKey
ONKUMRGIYFNPJW-KIEAKMPYSA-N
Chemical Structure
2D Structure
2D structure of Ethynodiol Diacetate
CAS: 297-76-7
CID: 9270
Formula: C24H32O4
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass384.23005950
Monoisotopic Mass384.23005950
Topological Polar Surface Area52.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity758
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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Alternative Products

CatalogName
B1508-SEthynodiol diacetate
RM-E070006-01α-Ethynodiol Diacetate
HY-B1089R-01Ethynodiol diacetate (Standard)
TRC-E932120-50MGEthynodiol

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