11β,17,21-Trihydroxypregn-4-en-3,20-dion-21-valerat
11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate
Grundinformationen
- CAS
6678-00-8- Standard-SMILES
CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
XHDMDWMKAYYIRK-FZNHGJLXSA-N- Summenformel
- C26H38O6
- Durchschnittliche Molmasse
- 446,6 g/mol
- Monoisotopische Masse
- 446,26683893
Namen und Bezeichner
- Bevorzugter Name
- 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate
- IUPAC
- [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
- Lokaler Name
- 11β,17,21-Trihydroxypregn-4-en-3,20-dion-21-valerat
- Englischer Name
- 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-valerate
- Summenformel
- C26H38O6
- Molmasse
- 446.58
Namen und Synonyme
6678-00-8Hydrocortisone 21-Valerate11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoateEINECS 229-716-3Cortisol 21-Valerate; 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl Pentanoatehydrocortisone-21-valerateSCHEMBL80604DTXSID20985345NS0004712111,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl pentanoate11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl pentanoate
Weitere Namen anzeigen
Hydrocortisone Impurity 49XHDMDWMKAYYIRK-FZNHGJLXSA-NValeric acid 11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl esterPregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[(1-oxopentyl)oxy]-, (11β)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 832
Experimentelle und physikochemische Eigenschaften
LogP3.62
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 · 182-186°C
- Siedepunkt
- 515.91 °C · 515.91°C (rough estimate)
- Dichte
- 1.0663 · 1.0663 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 3.05 mg/L · 3.05mg/L(25 ºC)
Chemie und Industrie
Anwendungen
VerwendenHydrocortisone 21-Valerate is a derivative of Hydrocortisone (H714615) a steroid hormone, more specifically a glucocorticoid, produced by the zona fasciculata of the adrenal gland. Cortisol is released in response to stress and a low level of blood glucocorticoids. Its primary functions are to increase blood sugar through gluconeogenesis; suppress the immune system; and aid in fat, protein and carbohydrate metabolism.
Anbieter15 Anbieter
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