Grundinformationen
- CAS
53-41-8- 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-HLUDHZFRSA-N- Summenformel
- C19H30O2
- Durchschnittliche Molmasse
- 290,4 g/mol
- Monoisotopische Masse
- 290,2245802
Namen und Bezeichner
- Bevorzugter Name
- Androsterone
- IUPAC
- (3R,5S,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
- Lokaler Name
- Androsteron
- Englischer Name
- Androsterone
- Summenformel
- C19H30O2
- Molmasse
- 290.44
Namen und Synonyme
androsterone53-41-8AndrokinineAndrotine3alpha-Hydroxy-5alpha-androstan-17-one5alpha-Androsterone3-Epihydroxyetioallocholan-17-one3alpha-Hydroxyetioallocholan-17-one5alpha-Androstane-3alpha-ol-17-one3alpha-Hydroxy-17-androstanone3-alpha-Hydroxy-5-alpha-androstan-17-oneDTXSID3036525
Weitere Namen anzeigen
AndrostroneAndrotinCIS-ANDROSTERONEU 6036U 60366NSC 9898Androkinin
Androstan-17-one, 3-hydroxy-, (3alpha,5alpha)-(3alpha,5alpha)-3-hydroxyandrostan-17-one(3R,5S,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-oneC24W7J5D5RCHEBI:16032NSC-9898DTXCID1016525(3R,5S,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
Datenbank-Bezeichner
- CAS
53-41-8
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
- Formalladung
- 0
- Komplexität
- 458
Experimentelle und physikochemische Eigenschaften
LogP3.69
Solubility0.012 mg/mL at 23 °C
Melting Point185 °C
Physical DescriptionSolid
Collision Cross Section
164.08 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；172.06 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；194.11 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
166.6 Ų [M+H-H2O]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；176.71 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 181 · 181-184 °C(lit.)
- Siedepunkt
- 372.52 °C · 372.52°C (rough estimate)
- Dichte
- 1.032 · 1.0320 (rough estimate)
- Brechungsindex
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.1% (3 of 73) of reports.
Danger
H315 (94.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (93.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (93.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 73 reports by companies.；There are 5 notifications provided by 70 of 73 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-
Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-: Environment tier I assessment；IMAP assessments - Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-: Human health tier I assessment
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsIntestine；Prostate；Testis
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Metabolite PathwaysAndrostenedione Metabolism
Anwendungen
VerwendenIt was isolated from male urine after removed of the phenolic estrogen fraction.
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