기본 정보
- CAS
1424-00-6- 표준 SMILES
C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C- InChIKey
UXYRZJKIQKRJCF-TZPFWLJSSA-N- 분자식
- C20H32O2
- 평균 분자량
- 304.5 g/mol
- 단동위원소 질량
- 304.24023026
이름 및 식별자
- 우선 이름
- Mesterolone
- IUPAC
- (1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
- 현지명
- 메스테롤론
- 영어명
- Mesterolone
- 분자식
- C20H32O2
- 분자량
- 304.47
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1424-00-6- PubChem CID
- 15020
- DTXSID
DTXSID90878533- ChEMBL
CHEMBL258918- ChEBI
CHEBI:135293- UNII
- 0SRQ75X9I9
- EC Number
- 215-836-3
- Nikkaji
- J7.487J
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 486
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 208 °C · 208 °C
- 끓는 점
- 420.3 · 420.3±45.0 °C(Predicted)
- 밀도
- 1.156 g/cm3 · 1.156 g/cm3
- 굴절률
- 17.6 ° · 17.6 ° (C=0.9, CHCl3)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물에 거의 녹지 않으며, 아세톤, 에틸 아세테이트 및 메탄올에 조금 녹습니다.
- 산도 계수 (pKa)
- 15.09 · 15.09±0.70(Predicted)
- 수용성
- 3 mg/L · 3mg/L at 20℃
- Merck
- 5916 · 5916
- 주요 응용
- 법의학 및 독성학의약품(소분자)수의사
- InChI
- InChI=1/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/s3
- InChIKey
- UXYRZJKIQKRJCF-TZPFWLJSSA-N
- SMILES
- [C@@]12([H])CC[C@@]3([H])CC(=O)C[C@H](C)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O |&1:0,4,10,12,14,18,20,23,r|
화학적 성질
White or yellowish crystalline powder.
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 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.
유해성 정보
Regulatory Information
DEA schedule III controlled substance
Status: Active Update: 30-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12497
규제 정보
Regulatory Information
DEA schedule III controlled substance
Status: Active Update: 30-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12497
안전 데이터
- wgk
- 3
- rtecs
- BV8063400
- HS 번호
- 29372900
- risk_code
- 20/21/22-38-19-11-61-60
- hazard_code
- Xn,T,F
- safety_code
- 22-24/25-36/37/39-45-53
- Hazard Classifications
- Aquatic Chronic 2Carc. 2Lact.Repr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- DEA Controlled Substances
- CSCN: 4000CSA SCH: Schedule IIINARC: No
화학 및 산업
약리 정보
ATC Code
G03BB01
G - Genito urinary system and sex hormones;G03 - Sex hormones and modulators of the genital system;G03B - Androgens;G03BB - 5-androstanon (3) derivatives;G03BB01 - Mesterolone
QG - Genito urinary system and sex hormones;QG03 - Sex hormones and modulators of the genital system;QG03B - Androgens;QG03BB - 5-androstanon (3) derivatives;QG03BB01 - Mesterolone
응용 분야
개요Mesterolone (Item No. 21171) is an analytical reference standard categorized as an anabolic androgenic steroid. Formulations containing mesterolone have been used in patients with low testosterone or symptoms of aging male syndrome. Mesterolone cannot be aromatized to estrogens, unlike other androgens. This compound is the active ingredient in different pharmaceutical preparations that have been used medically but have also been widely applied in sports in order to improve athlete performance. Mesterolone is regulated as a Schedule III drug in the United States. This product is intended for research and forensic applications.
용도Mesterolone is a synthetic androgen and a dihydrotestosterone derivative. Mesterolone is rarely used for replacement therapies due to its weak androgenic activity.
일반 설명Mesterolone is a synthetic anabolic-androgenic steroid (AAS) and derivative of dihydrotestosterone (DHT). It is inactivated by 3α-hydroxysteroid dehydrogenase in skeleta muscules so it is considered a weak androgen. It is not a substrate for aromatase so it is not converted into estrogen. Mesterolone demonstrated to have minimal effect on sperm counts and levels of FSH or LH. Experiments of mesterolone serving as a potential treatment of depression are still undergoing.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
추가 설명
정의ChEBI: Mesterolone is a 3-oxo-5alpha-steroid. It is a structurally altered DHT hormone possessing the addition of a methyl group at the carbon one position. This allows the hormone to survive oral ingestion by protecting it from hepatic breakdown. This is one of the only oral anabolic steroids that is not C17-alpha alkylated (C17-aa) but instead carries the added methyl group.
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