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Etynodioldi(acetat)
Ethynodiol · Femulen · CB-8080 · ovulen50 · SC 11800 · 8080c.b. · Etynodiol · Luteonorm
Identifikatoren & physikalische Daten
| CAS No. | 297-76-7 |
|---|---|
| Summenformel | C24H32O4 |
| Durchschnittliche Molmasse | 384,5 g/mol |
| Monoisotopische Masse | 384,2300595 g/mol |
| SMILES | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C |
| InChIKey | ONKUMRGIYFNPJW-KIEAKMPYSA-N |
| PubChem CID | 9270 |
| ChEMBL | CHEMBL1200624 |
| ChEBI | CHEBI:31580 |
| EC No. | 206-044-9 |
| DTXSID | DTXSID4020614 |
| Lokaler Name | Etynodioldi(acetat) |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 758 |
| LogP (Verteilungskoeffizient) | 5 |
| Löslichkeit | 3.97e-03 g/LChloroform (Slightly), DMSO (Slightly)1.4mg/L(25 ºC) |
| Schmelzpunkt | 126-127~126-127° |
| Physical Description | Solid |
| Siedepunkt | 431.17°C (rough estimate) |
| Dichte | 1.0474 (rough estimate) |
| Brechungsindex | 1.4860 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid |
| Farbe | White |
| CAS Datenbank | 297-76-7(CAS DataBase Reference) |
| NIST chemische Informationen | Ethynodiol diacetate(297-76-7) |
| EPA chemische Informationen | Ethynodiol diacetate (297-76-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (95%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (95%): Harmful if inhaled [Warning Acute toxicity, inhalation]H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]H360 (30%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3.beta.,17.alpha.)-: Environment tier I assessmentIMAP assessments - 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3.beta.,17.alpha.)-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (95%)Carc. 2 (100%)Repr. 1B (30%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)ethynodiol diacetateDILI PositiveOralDOI:10.1016/j.drudis.2019.09.022 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2937230000 |
| RTECS-Nr. | RC8963000 |
| R-Sätze (R) | 20/21/22-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-36 |
Anwendungen & Verwendung
Beschreibung
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.
Verwenden
Ethynodiol Diacetate is used as a hormonal contraceptive, birth control.