Androstenediol
기본 정보
- CAS
521-17-5- 표준 SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
QADHLRWLCPCEKT-LOVVWNRFSA-N- 분자식
- C19H30O2
- 평균 분자량
- 290.4 g/mol
- 단동위원소 질량
- 290.2245802
개요
Androst-5-ene-3beta,17beta-diol is a 3beta-hydroxy-5-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta. It has a role as an androgen, a radiation protective agent, a mouse metabolite and a human metabolite. It is a 3beta-hydroxy-Delta(5)-steroid and a 17beta-hydroxy steroid. It derives from a hydride of an androstane.
이름 및 식별자
- 우선 이름
- Androstenediol
- IUPAC
- (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- 영어명
- Androstenediol
- 분자식
- C19H30O2
- 분자량
- 290.44
이름 및 동의어
AndrostenediolHermaphrodiol521-17-55-AndrostenediolAndrost-5-ene-3beta,17beta-diolNeumune3beta,17beta-Dihydroxyandrost-5-ene5-andendiolHE21005-AED3beta,17beta-Dihydroxy-5-androstene(3beta,17beta)-androst-5-ene-3,17-diol
이름 더 보기
ANDROSTENDIOLZK-4802androst-5-enediolANDROSTENEDIOL, 5-5-Androstene-3,17-diolANDROSTENEDIOL, 5-(RG)
DTXSID902260995PS51EMXYNSC-12163HE-2100Androst-5-ene-3,17-diol, (3beta,17beta)-(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diolCHEBI:2710DTXCID002609
데이터베이스 식별자
- CAS
521-17-5- PubChem CID
- 10634
- DTXSID
DTXSID9022609- ChEMBL
CHEMBL440283- ChEBI
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 470
실험 및 물리화학적 성질
Drugs
DEA Schedule III Controlled Substance -> Anabolic steroids
Pharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesChemical shift
LogP3.55
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 178 · 178-182°C
- 끓는 점
- 428.4 · 428.4±38.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 15.01 · 15.01±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H361fd (100%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationDEA schedule III controlled substance
Hazard Classes and CategoriesRepr. 2 (100%)
안전 데이터
- HS 번호
- 29061990
- risk_code
- 60-61-11-19-38
- hazard_code
- F,T
- safety_code
- 24/25-45-53
- DEA Controlled Substances
- CSCN: 4000CSA SCH: Schedule IIINARC: No
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationThese compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power.
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
응용 분야
용도Androstenediol is used for weight training and recovery, and to increase testosterone production and stamina.
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: A 3beta-hydroxy steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta.
관련 반응
3건
화합물 노트
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