6beta-Hydroxytestosterone
Grundinformationen
- CAS
62-99-7- Standard-SMILES
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
XSEGWEUVSZRCBC-ZVBLRVHNSA-N- Summenformel
- C19H28O3
- Durchschnittliche Molmasse
- 304,4 g/mol
- Monoisotopische Masse
- 304,20384475
Überblick
6beta-hydroxytestosterone is a 17beta-hydroxy steroid that is testosterone bearing an additional hydroxy substituent at the 6beta-position. It has a role as an androgen, a human metabolite and a Daphnia magna metabolite. It is a 17beta-hydroxy steroid, a 6beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
Namen und Bezeichner
- Bevorzugter Name
- 6beta-Hydroxytestosterone
- IUPAC
- (6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Englischer Name
- 6beta-Hydroxytestosterone
- Summenformel
- C19H28O3
- Molmasse
- 304.42
Namen und Synonyme
6beta-Hydroxytestosterone62-99-76beta,17beta-Dihydroxyandrost-4-en-3-one2GJX0P354ZDTXSID201018939CHEBI:34477NSC-9721(6beta,17beta)-6,17-dihydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 6,17-dihydroxy-, (6beta,17beta)-6 beta-hydroxytestosteroneRefChem:544402androst-4-en-3-one, 6,17-dihydroxy-, (6 beta,17 beta)-
Weitere Namen anzeigen
6β-hydroxy TestosteroneNsc 97216BETA-HYDROXYTESTOSERONETestosterone Impurity 116β,17β-androst-4-en-3-one6β-Hydroxytestosterone D7D6-6β-Hydroxytestosterone2H6]-6β-Hydroxytestosterone4-Androsten-6b,17b-diol-3-one
DTXCID3014769526|A-Hydroxy Testosterone6-beta-hydroxytestosterone6b-Hydroxy Testosterone(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(6R,8R,9S,10R,13S,14S,17S)-6,17-Dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one6?-Hydroxy Testosterone6b-Hydroxy Testosterone (100 ug/mL in Methanol)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 539
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point172 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 °C · ≥205 °C
- Siedepunkt
- 479.8 · 479.8±45.0 °C(Predicted)
- Dichte
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- Flammpunkt
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 13.98 · 13.98±0.70(Predicted)
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
Danger
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesCarc. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 29372290
- risk_code
- 61-40-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 53-22-36/37/39-45-36/37-16-7
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites6alpha-Hydroxytestosterone is a known human metabolite of testosterone.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Anwendungen
BeschreibungCYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. CYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. 6β-hydroxy Testosterone is a major metabolite produced from testosterone by the actions of CYP3A4 and CYP3A5, accounting for 75-80% of all metabolites formed from testosterone. The biological effects of 6β-hydroxy testosterone have been poorly studied.
VerwendenA metabolite of Testosterone. CONTROLLED SUBSTANC
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