Androstenediol

HCID 10634CAS 521-17-5

基本情報

標準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
分子式: C19H30O2
平均分子量: 290.4 g/mol
単同位体質量: 290.2245802

概要

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.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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

データベース識別子

CAS: 521-17-5
PubChem CID: 10634
DTXSID: DTXSID9022609
ChEMBL: CHEMBL440283
ChEBI: CHEBI:2710
UNII: 95PS51EMXY
EC Number: 208-306-8
Nikkaji: J6.611G

物性

構造計算による物性

XLogP: 3.5
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 21
形式電荷: 0
複雑度: 470

実験および物理化学的性質

Drugs · 2 件

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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory InformationDEA schedule III controlled substance

Hazard Classes and CategoriesRepr. 2 (100%)

化学と産業

薬理情報

MeSH Pharmacological ClassificationThese compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power.

Tissue LocationsAdipose Tissue

Cellular LocationsExtracellular