Etiocholanolone

HCID 5880CAS 53-42-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey
QGXBDMJGAMFCBF-BNSUEQOYSA-N
Summenformel
C19H30O2
Durchschnittliche Molmasse
290,4 g/mol
Monoisotopische Masse
290,2245802

Überblick

3alpha-hydroxy-5beta-androstan-17-one is an androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals. It has a role as a mouse metabolite and a human metabolite. It is a 17-oxo steroid, a 3alpha-hydroxy steroid and an androstanoid. It derives from a hydride of a 5beta-androstane.

Namen und Bezeichner

Bevorzugter Name
Etiocholanolone
IUPAC
(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Englischer Name
Etiocholanone
Summenformel
C19H30O2
Molmasse
290.44

Namen und Synonyme

etiocholanolone53-42-95-IsoandrosteroneAetiocholanolone5beta-AndrosteroneEtiocholan-3alpha-ol-17-one3alpha-Hydroxy-5beta-androstan-17-one3alpha-Etiocholanolone3alpha-Hydroxyetiocholan-17-one5 beta Androsterone97CGB1M48IAndrostan-17-one, 3-hydroxy-, (3alpha,5beta)-
Weitere Namen anzeigen
5BETA-ANDROSTAN-3ALPHA-OL-17-ONEC043735β-AndrosteroETIOCHOLANONEETIOCHOLANOLON5β-Androsterone(5β)-Androsterone3α-Etiocholanolone
5beta-Androstan-17-one, 3alpha-hydroxy-DTXSID001018919NSC-50908(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-oneJ4.146GCHEBI:28195NSC509083-alpha-hydroxy-5-beta-androstan-17-one

Datenbank-Bezeichner

CAS
53-42-9
PubChem CID
5880
DTXSID
DTXSID001018919
ChEMBL
CHEMBL85799
ChEBI
CHEBI:28195
UNII
97CGB1M48I
Nikkaji
J4.146G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,7
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
21

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point152 - 154 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
148 · 148~150℃
Siedepunkt
392.52 °C · 392.52°C (rough estimate)
Dichte
0.9731 · 0.9731 (rough estimate)
Brechungsindex
1.536 · 1.5360 (estimate)
Flammpunkt
2 ℃ · 2℃
storage temp.
room temp

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3
ridadr
UN 1648 3 / PGII
risk_code
11-20/21/22-36
hazard_code
F,Xn
safety_code
16-36/37
Speicherklasse
3 - Flammable liquids

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesEtiocholanolone has known human metabolites that include Etiocholanolone glucuronide.
Cellular LocationsEndoplasmic reticulum
Metabolite PathwaysAndrostenedione Metabolism

Anwendungen

Verwenden5β-Androsterone is a metabolite of Testosterone (T155000). β-Androsterone is a stereoisomer of Androsterone (A637535). 5β-Androsterone showed a weak estrogenic action.

Vor- und nachgelagerte Produkte

Anbieter42 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals.

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Verknüpfte Notizen

Wird geladen…