Ethynodiol
Also known as Ethinodiol, Etynodiol, Aethynodiolum
Key facts
What buyers check first
- CAS number
- 1231-93-2
- Formula
- C20H28O2
- Melting point
- 126 to 127 °C
- Solubility
- Solubility in double-distilled water, 0.26 mg/L /Ethynodiol diacetate/
- HS code
- 293723
- Category
- Steroids and sterols
What is Ethynodiol?
Plain description, key identifiers and synonyms
Ethynodiol is a 17beta-hydroxy steroid, a 3beta-hydroxy steroid and a terminal acetylenic compound. It has a role as a progestin.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- CAS number
- 1231-93-2 CAS number cross-checked
- EC number
- 214-971-5
- Molecular formula
- C20H28O2
- UNII
- 9E01C36A9S
- InChIKey
- JYILPERKVHXLNF-QMNUTNMBSA-N
- InChI
- InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1
- Canonical SMILES
- C#CC1(O)CCC2C3CCC4=CC(O)CCC4C3CCC21C
- Isomeric SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C[C@H](CC[C@H]34)O
Synonyms
- Ethinodiol
- Etynodiol
- Aethynodiolum
- Etinodiol
- Etynodiolum
- (3beta,17alpha)-19-Norpregn-4-en-20-yne-3,17-diol
- (3beta,17beta)-17-ethynylestr-4-ene-3,17-diol
- 17alpha-Ethynyl-19-norandrost-4-ene-3beta,17beta-diol
- 17-alpha-Ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol
- Etynodol
- 17 alpha-ethynyl-estra-4-ene-3 beta,17 beta-diol
- 19-Norpregn-4-en-20-yne-3,17-diol, (3beta,17alpha)-
- (3beta,17beta)-17-ethynylestr-4-ene-3,17-diol, 17alpha-ethynylestr-4-ene-3beta,17beta-diol
- Etynodiol (INN)
- 17alpha-ethynylestr-4-ene-3beta,17beta-diol
- (3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- Etinodiolo
- (3-beta,17-alpha)-19-Norpregn-4-en-20-yne-3,17-diol
- 3beta-hydroxynorethisterone
- 17alpha-Ethynyl-estra-4-ene-3beta,17beta-diol
- 19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol
- 19-Norpregn-4-en-20-yne-3,17-diol, (3-beta,17-alpha)-
- 3beta-hydroxylynestrenol
- 17alpha-19-Norpregn-4-en-20-yne-3beta,17-diol
- (3beta,17.beta.)-17-ethynylestr-4-ene-3,17-diol
Show all 27 synonymsShow fewer synonyms
- 17alpha-ethynyl-4-oestrene-3beta,17beta-diol
- Estr-4-ene-3,17-diol, 17-ethynyl-, (3beta,17.beta.)-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Melting point | 126 to 127 °Cexp.Measured value |
|---|---|
| Solubility | Solubility in double-distilled water, 0.26 mg/L /Ethynodiol diacetate/exp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 300.44 g/molcalc.Computed value |
|---|---|
| Exact mass | 300.2089 Dacalc.Computed value |
| LogP (octanol/water) | 3.28calc.Computed value |
| Topological polar surface area | 40.46 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.8calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 7calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Ethynodiol suppliers
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Ethynodiol price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- agonist
- hormone
- molecular messenger
- progestin
- progestogen
- sex hormone
Pharmacology
Ethynodiol is a Progestin.
How it is made
Ethindrone is reduced to ethynodiol, which is acetylated with acetic anhydride in pyridine to produce ethynodiol diacetate. Ethynodiol diacetate can also be prepared from ethynodiol or from norethisterone by reducing the keto group to the carbinol and acetylating the 3- and 17-hydroxyls. It is not known which process is used for commercial production. (Ethynodiol diacetate)
Prepn: F.B. Colton, U.S. pat. 2843609 (1958 to Searle). Prepn of the 3-acetate, 17-acetate, and diacetate: P.D. Klimstra U.S. pat. 3176013 (1965 to Searle)
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Ethynodiol is traded under.
Oestrogens and progestogens
- China42.9%
- Italy18.4%
- Netherlands8.9%
- India * partner reported12.1%
- United States11.0%
- Belgium8.3%
* Partner reported figures, a lower bound.
The HS code shown for Ethynodiol is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Ethynodiol, based on the data on this page
What is Ethynodiol?
What is the CAS number of Ethynodiol?
What is the molecular formula and weight of Ethynodiol?
What is Ethynodiol used for?
Is Ethynodiol hazardous?
What is the HS code of Ethynodiol?
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What is the price of Ethynodiol?
Guides for buyers
Practical guides that help when you source, ship or handle Ethynodiol
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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