Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Ethynodiol Diacetate
Ethynodiol · Femulen · CB-8080 · ovulen50 · SC 11800 · 8080c.b. · Etynodiol · Luteonorm
식별자 및 물리적 특성
| CAS No. | 297-76-7 |
|---|---|
| 분자식 | C24H32O4 |
| 평균 분자량 | 384.5 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 3.9 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 28 |
| 형식 전하 | 0 |
| 복잡도 | 758 |
| LogP(분배 계수) | 5 |
| 용해도 | 3.97e-03 g/L클로로포름 (약간 용해됨), DMSO (약간 용해됨) |
| 녹는점 | 126-127~126-127° |
| Physical Description | Solid |
| 끓는 점 | 431.17°C (rough estimate) |
| 밀도 | 1.0474 (rough estimate) |
| 굴절률 | 1.4860 (estimate) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 고체 |
| 색상 | 하얀색 |
| 용해도 | 1.4mg/L(25℃) |
| NIST | Ethynodiol diacetate(297-76-7) |
| EPA | Ethynodiol diacetate (297-76-7) |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 기타 안전 정보 | 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 |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | RC8963000 |
| 관세 코드 | 2937230000 |
| 위험 문구(R) | 20/21/22-40 |
| 위험 표시 | Xn |
| 안전 문구(S) | 22-36 |
용도
개요
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.
용도
Ethynodiol Diacetate is used as a hormonal contraceptive, birth control.
일반 설명
Ethynodiol diacetate, 19-norpregn-4-en-20-yne-3β,17α-diol diacetate, is a prodrug ofnorethindrone. A combination of hydrolysis of both estersand oxidation of the C3 alcohol to the ketone is necessary toprovide the fully active progestin.