Ethynodiol diacetate

Base Information

• Chemical Name: Ethynodiol diacetate
• CAS No.: 297-76-7
• Molecular Formula: C24H32O4
• Molecular Weight: 384.516
• Hs Code.: 2937230000
• European Community (EC) Number: 206-044-9
• UNII: 62H10A1236
• DSSTox Substance ID: DTXSID4020614
• Nikkaji Number: J5.459C
• Wikipedia: Etynodiol_diacetate
• Wikidata: Q5405160
• NCI Thesaurus Code: C47525
• RXCUI: 4170
• Pharos Ligand ID: BHLBSDZ815MB
• Metabolomics Workbench ID: 35410
• ChEMBL ID: CHEMBL1200624
• Mol file: 297-76-7.mol

Synonyms:(3 beta, 17 alpha)-19-Norpregn-4-en-20-yne-3,17 diol Diacetate;19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3beta,17alpha)-;Continuin;Ethyndiol Diacetate;Ethynodiol Diacetate;Ethynodiol Diacetate, (17 alpha)-Isomer;Femulen

Chemical Property of Ethynodiol diacetate

Chemical Property:

• Vapor Pressure: 8.11E-09mmHg at 25°C
• Melting Point: 128 - 131oC
• Refractive Index: 1.544
• Boiling Point: 461.1 °C at 760 mmHg
• Flash Point: 221.8 °C
• PSA: 52.60000
• Density: 1.14 g/cm³
• LogP: 4.42590
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• Water Solubility.: 1.4mg/L(25 oC)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 384.23005950
• Heavy Atom Count: 28
• Complexity: 758

Purity/Quality:

99% ^*data from raw suppliers

Ethynodiol diacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C
• Isomeric 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
• Recent ClinicalTrials: A Study To Determine Bioequivalence Between The Commercial Femulen Tablets And A Reformulation Of Femulen Tablets In Healthy Female Subjects
• Description: Ethynodiol diacetate is a synthetic progestogen. It prevents the development of osteoporosis in ovariectomized rats when administered at a dose of 9 μg/animal per day. Ethynodiol diacetate inhibits copulatory ovulation in rabbits. Formulations containing ethynodiol diacetate have been used as oral contraceptives.
• Uses: Ethynodiol Diacetate is used as a hormonal contraceptive, birth control. anticonvulsant
• Therapeutic Function: Progestin; Oral contraceptive ingredient

Technology Process of Ethynodiol diacetate

There total 6 articles about Ethynodiol diacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 19-nor-17α-pregn-4-en-20-yne-3β,17-diol diacetate (297-76-7)

Guidance literature:

17β-Acetoxy-17α-ethinyl-4-oestren-3β-ol, Ac2O;

Reference yield:

→ 17α-Ethynylestr-4-ene-3β,17β-diol-3,17-diacetat (297-76-7,6785-71-3,20521-31-7,23944-84-5,23944-85-6,61217-13-8)

Guidance literature:

17α-Ethinyl-17β-acetoxy-oestr-4-en-3-on, LiAlH4, Ac2O-Py, Iod;

Reference yield:

→ 17α-Ethinyl-18-methyl-oestr-4-en-3β,17β-diol-diacetat (297-76-7,6785-71-3,20521-31-7,23944-84-5,23944-85-6,61217-13-8)

Guidance literature:

17-Monoacetat;

Downstream raw materials:

17α-ethynyl-3β-hydroxy-17β-acetoxyestr-4-ene

norethisterone