Cortisol-9,12,12-D3
Grundinformationen
- CAS
115699-92-8- Standard-SMILES
[2H]C1([2H])[C@H](O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@](O)(C(=O)CO)[C@]21C- InChIKey
JYGXADMDTFJGBT-GNVNMZRRSA-N- Summenformel
- C21H30O5
- Durchschnittliche Molmasse
- 365,5 g/mol
- Monoisotopische Masse
- 365,22815429
Namen und Bezeichner
- Bevorzugter Name
- Cortisol-9,12,12-D3
- IUPAC
- (8S,9S,10R,11S,13S,14S,17R)-9,12,12-trideuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
- Englischer Name
- Hydrocortisone-D3 Solution, 10ppm
- Summenformel
- C21H27D3O5
- Molmasse
- 365.48
Namen und Synonyme
Hydrocortisone-d3CORTISOL-9,12,12-D3115699-92-8orb3138627TMID-0838HY-N0583S3MSK2226D3-10AMSK2226D3-100AMS-25842CS-0380804F91433Hydrocortisone-d3 Solution in Acetonitrile, 10ug/mL
Weitere Namen anzeigen
T 21918-2008）T 21981-2008）Hydrocortisone-[D3Cortisol (9,12,12-D?, 98%)Hydrocortisone-D3 (Standard)Hydrocortisone-D3 Solution, 10ppm
Hydrocortisone-d3 Solution in Acetonitrile, 100ug/mL(8S,9S,10R,11S,13S,14S,17R)-9,12,12-trideuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Datenbank-Bezeichner
- CAS
115699-92-8- PubChem CID
- 102214981
- Nikkaji
- J2.144.809E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 684
Physikochemische Eigenschaften
- Siedepunkt
- 566.45 · 566.450±50.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.288 · 1.288±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.472 · 12.472±0.70(predicted)
- Farbe
- White to Off-White
- CAS Number Unlabeled
- 50 · 50-23-7
Chemie und Industrie
Anwendungen
VerwendenIsotope labelled Cortisol (H714615) a topical corticosteroid, 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.
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