Grundinformationen
- CAS
561-65-9- Standard-SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(CO)[C@@H](C(=O)CO)CC[C@@H]12- InChIKey
HFSXHZZDNDGLQN-ZVIOFETBSA-N- Summenformel
- C21H30O5
- Durchschnittliche Molmasse
- 362,5 g/mol
- Monoisotopische Masse
- 362,20932405
Namen und Bezeichner
- Bevorzugter Name
- 18-Hydroxycorticosterone
- IUPAC
- (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Lokaler Name
- 11β,18,21-Trihydroxypregn-4-en-3,20-dion
- Englischer Name
- 18-Hydroxycorticosterone
- Summenformel
- C21H30O5
- Molmasse
- 362.47
Namen und Synonyme
18-HYDROXYCORTICOSTERONE561-65-94U5T0O9SI311beta,18,21-trihydroxy-pregn-4-ene-3,20-dioneCHEBI:16485DTXSID80897516Pregn-4-ene-3,20-dione, 11,18,21-trihydroxy-, (11beta)-18 Hydrocorticosterone18-HydrocorticosteroneRefChem:79365Hydroxycorticosterone, 1818 HYDROXYCORTICOSTERONE
Weitere Namen anzeigen
18-Hydroxycorticosterone-[2H4]Hydroxycorticosterone18-Hydroxycorticosterone solution4-Pregnene-11β,18,21-triol-3,20-dione4-PREGNEN-11β, 18, 21-TRIOL-3, 20-DIONE11β,18,21-Trihydroxypregn-4-ene-3,20-dione(11b)11,18,21-trihydroxy-Pregn-4-ene-3,20-dione18-Hydroxycorticosterone in Acetonitrile(10%Water)Pregn-4-ene-3,20-dione, 11,18,21-trihydroxy-, (11β)-
DTXCID601326871(1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo(8.7.0.02,7.011,15)heptadec-6-en-5-one209-221-911beta,18,21-Trihydroxypregn-4-ene-3,20-dione18-hydroxy corticosterone(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-oneUNII-4U5T0O9SI3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 655
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Physikochemische Eigenschaften
- Siedepunkt
- 577.8 · 577.8±50.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- Flammpunkt
- 2 ℃ · 2℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Solid
- pka
- 12.98 · 12.98±0.10(Predicted)
- Farbe
- White to off-white
- BRN
- 2631066 · 2631066
- Major Application
- clinical testing
- InChIKey
- HFSXHZZDNDGLQN-ZVIOFETBSA-N
- SMILES
- O[C@@H]1[C@H]2[C@H]([C@H]4[C@@]([C@H](CC4)C(=O)CO)(C1)CO)CCC3=CC(=O)CC[C@@]32C
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Toxikologische Informationen
Health Effects
Chronically high levels of 18-hydroxycorticosterone are associated with at least 3 inborn errors of metabolism including: Adrenal hyperplasia type 5, Corticosterone methyl oxidase I deficiency and Corticosterone methyl oxidase II deficiency.
Toxicity Summary
18-Hydroxycorticosterone is a derivative of corticosterone. It serves as an intermediate in the synthesis of aldosterone by the enzyme aldosterone synthase in the zona glomerulosa. (Wikipedia) 18-Hydroxycorticosterone (18OHB) has low affinity for the mineralocorticoid receptor and mainly originates from the conversion of corticosterone by the aldosterone synthase, although small amounts may be produced by the 11β-hydroxylase. Serum concentrations of 18OHB increase with increased aldosterone synthesis due to sodium depletion and angiotensin II infusion. (A15449) Accumulation of 18-hydroxycorticosterone in a given organ has been shown to be toxic for the body.
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdrenal Gland
Cellular LocationsExtracellular；Membrane
Metabolite Pathways
11-beta-hydroxylase deficiency (CYP11B1)；17-alpha-hydroxylase deficiency (CYP17)；21-hydroxylase deficiency (CYP21)；3-Beta-Hydroxysteroid Dehydrogenase Deficiency；Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia due to 21-hydroxylase Deficiency；Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia due to 17 Alpha-hydroxylase Deficiency；Apparent mineralocorticoid excess syndrome；Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH；Corticosterone methyl oxidase I deficiency (CMO I)；Corticosterone methyl oxidase II deficiency - CMO II；Total 11 pathways, visit the HMDB page for details
Verwendung und Herstellung
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Anwendungen
Verwenden18-Hydroxycorticosterone is a derivative of Corticosterone. 18-Hydroxycorticosterone is used as an intermediate in the synthesis of Aldosterone (A514700).
Anbieter23 Anbieter
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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