기본 정보
- 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
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
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
CHEBI:2710- UNII
- 95PS51EMXY
- EC Number
- 208-306-8
- Nikkaji
- J6.611G
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
안전 및 규제
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%)
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
관련 반응
3건
연결된 노트
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