Grundinformationen
- Standard-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- Summenformel
- C19H30O2
- Durchschnittliche Molmasse
- 290,4 g/mol
- Monoisotopische Masse
- 290,2245802
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 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
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
521-17-5- PubChem CID
- 10634
- DTXSID
DTXSID9022609- ChEMBL
CHEMBL440283- ChEBI
CHEBI:2710- UNII
- 95PS51EMXY
- EC Number
- 208-306-8
- Nikkaji
- J6.611G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 470
Experimentelle und physikochemische Eigenschaften
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
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
Regulatory InformationDEA schedule III controlled substance
Hazard Classes and CategoriesRepr. 2 (100%)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationThese compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power.
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
Zugehörige Reaktionen
3
Verknüpfte Notizen
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