안드로스타-1,4-디엔-3,17-디온
안드로스타-1,4-디엔-3,17-디온 · Boldione · 1,4-ANDROSTADIENEDIONE · ANDROSTADIENEDIONE · 1,4-ANDROSTADIENE-3,17-DIONE · 10,13-DIMETHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIONE · 10,13-DIMETHYL-7,8,9,10,11,12,13,14,15,16-DECAHYDRO-3H-CYCLOPENTA[A]PHENANTHRENE-3,17(6H)-DIONE · (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
식별자 및 물리적 특성
| CAS No. | 897-06-3 |
|---|---|
| 분자식 | C19H24O2 |
| 평균 분자량 | 284.4 g/mol |
| 단동위원소 질량 | 284.17763001 g/mol |
| SMILES | C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 |
| InChIKey | LUJVUUWNAPIQQI-QAGGRKNESA-N |
| PubChem CID | 13472 |
| ChEMBL | CHEMBL1078534 |
| ChEBI | CHEBI:40799 |
| EC No. | 212-977-2 |
| DTXSID | DTXSID00862463 |
| 현지명 | 안드로스타-1,4-디엔-3,17-디온 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 34.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 584 |
| 의약품 | DEA Schedule III Controlled Substance -> Anabolic steroidsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| SpringerMaterials Properties | Chemical shift |
| Human Drugs | Pharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Solid |
| Collision Cross Section | 166.5 Ų [M+H]+ [CCS Type: TW]160.21 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]168.4 Ų [M+H]+ [CCS Type: TW |
| 녹는점 | 138-139 °C(lit.) |
| 끓는 점 | 434.2±45.0 °C(Predicted) |
| 밀도 | 1.14±0.1 g/cm3(Predicted) |
| 증기압 | 0Pa at 20℃ |
| 저장 조건 | Refrigerator |
| 용해도 | DMF: 50 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 30 mg/mlEthanol: 5 mg/ml |
| 물리적 상태 | 결정성 고체 |
| 용해도 | 430mg/L at 20℃ |
| 주요 응용 | 제약 |
| InChI | 1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | LUJVUUWNAPIQQI-QAGGRKNESA-N |
| SMILES | [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]4(C)C(=O)CC[C@@]24[H] |
| LogP(분배 계수) | 2.2 at 25℃ |
화학적 성질
White Crystalline Powder
안전 및 규제
| GHS 분류 | DangerH302 (35%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | DEA schedule III controlled substanceStatus: Active Update: 15-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19098 |
| Hazard Classes and Categories | Acute Tox. 4 (35%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | BV7988000 |
| 관세 코드 | 29372900 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-01786 |
| 위험 등급 | Aquatic Chronic 2Carc. 2Lact.Repr. 1B |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| DEA Controlled Substances | CSCN: 4000CAS SCH: ⅢNARC: N |
용도
개요
Androsta-1,4-diene-3,17-dione (Item No. 24081) is an analytical reference standard categorized as an anabolic androgenic steroid. Androsta-1,4-diene-3,17-dione is a precursor in the synthesis of boldenone and has been used to enhance athletic performance. Androsta-1,4-diene-3,17-dione is regulated as a Schedule III compound in the United States. This product is intended for research and forensic applications.
용도
Boldenone related steroid; anabolic androgenic steroid