3-베타-하이드록시-5-알파-안드로스텐-17-온
3-베타-하이드록시-5-알파-안드로스텐-17-온 · TRANS-ANDROSTERONE · ISOANDROSTERONE · EpiA · 5ALPHA-ANDROSTAN-3BETA-OL-17-ONE · 3-Hydroxyandrostan-17-one · Androstan-17-one, 3-hydroxy-, (3b,5a)- · NSC 93996
식별자 및 물리적 특성
| CAS No. | 481-29-8 |
|---|---|
| 분자식 | C19H30O2 |
| 평균 분자량 | 290.4 g/mol |
| 단동위원소 질량 | 290.2245802 g/mol |
| SMILES | C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 |
| InChIKey | QGXBDMJGAMFCBF-LUJOEAJASA-N |
| PubChem CID | 441302 |
| ChEMBL | CHEMBL272195 |
| ChEBI | CHEBI:541975 |
| EC No. | 207-563-3 |
| DTXSID | DTXSID20289698 |
| 현지명 | 3-베타-하이드록시-5-알파-안드로스텐-17-온 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 458 |
| 지질 | Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202] |
| SpringerMaterials Properties | Chemical shift |
| Human Drugs | Pharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 162.76 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 172-174 °C |
| 끓는 점 | 372.52°C (rough estimate) |
| 밀도 | 1.0320 (rough estimate) |
| 굴절률 | 1.4709 (estimate) |
| 저장 조건 | Refrigerator |
| 용해도 | insoluble in H2O≥12.35 mg/mL in EtOH≥28.27 mg/mL in DMSO |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 15.14±0.60(Predicted) |
| 색상 | White to off-white |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | 실질적으로 불용성 |
| Merck | 3609 |
| BRN | 1884007 |
| InChI | 1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | QGXBDMJGAMFCBF-LUJOEAJASA-N |
| SMILES | [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 |
| LogP(분배 계수) | 3.751 |
| NIST | 3Beta-hydroxy-5alpha-androstan-17-one(481-29-8) |
화학적 성질
white to off-white crystalline powder. Musky odor when heated.
안전 및 규제
| GHS 분류 | WarningH302 (39.1%): Harmful if swallowed [Warning Acute toxicity, oral]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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11686Androstan-17-one, 3-hydroxy-, (3.beta.,5.alpha.)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (39.1%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29144000 |
| 안전 문구(S) | 22-24/25 |
| F 고인화성물질 | 21 |
| 위험 등급 | Repr. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Epiandrosterone is a steroid hormone with weak androgenic activity, derived from 5 α-androstane. It is a dehydroepiandrosterone metabolite and an androgen. It is a precursor of testosterone and estradiol with hypolipidemic and anabolic activities.
용도
Epiandrosterone is used for weight loss, to improve athletic performance, to reduce sexual problems, and for many other uses, but there is no good scientific evidence to support its use. Epiandrosterone might also be unsafe.Epiandrosterone is a steroid hormone that is present in normal human urine as a minor constituent , it is a less active 3β-isomer of the androgen Androsterone (A635535). Controlled Substance.