Hydrocortisone 21-propionate
Grundinformationen
- CAS
6677-98-1- Standard-SMILES
CCC(=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
MRECAIZOMKKXOZ-RPPPWEFESA-N- Summenformel
- C24H34O6
- Durchschnittliche Molmasse
- 418,5 g/mol
- Monoisotopische Masse
- 418,2355388
Namen und Bezeichner
- Bevorzugter Name
- Hydrocortisone 21-propionate
- 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] propanoate
- Englischer Name
- Cortisol 21-propionate
- Summenformel
- C24H34O6
- Molmasse
- 418.52
Namen und Synonyme
hydrocortisone 21-propionate6677-98-1[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] propanoateHydrocortisone propionateCortisol 21-propionateCortisol, 21-propionatePregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(1-oxopropoxy)-, (11ss)-; Cortisol, 21-propionate (6CI,7CI,8CI); Hydrocortisone 21-propionate; Hydrocortisone propionateSCHEMBL180225CHEMBL254195DTXSID7087291811,17-Dihydroxy-21-(1-oxopropoxy)pregn-4-ene-3,20-dione (11beta)-AKOS015969743
Weitere Namen anzeigen
Cortisol 21-propanoateHydrocortisone Impurity 55HYDROCORTISONE-21-PROPIOTE17-Hydroxycorticosterone 21-propionate21-oxopropoxy-11β,17α-dihydroxypregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(1-oxopropoxy)-, (11β)-Hydrocortisone-21-propionateQ: What is Hydrocortisone-21-propionate Q: What is the CAS Number of Hydrocortisone-21-propionate Q: What is the storage condition of Hydrocortisone-21-propionate Q: What are the applications of Hydrocortisone-21-propionate
11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl propanoatePregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(1-oxopropoxy)-, (11beta)-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 propionate
Datenbank-Bezeichner
- CAS
6677-98-1- PubChem CID
- 111228
- DTXSID
DTXSID70872918- ChEMBL
CHEMBL254195- Nikkaji
- J407.515C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 802
Experimentelle und physikochemische Eigenschaften
LogP2.8
Physikochemische Eigenschaften
- Schmelzpunkt
- 206 · 206.0-208.5 °C
- Siedepunkt
- 496.27 °C · 496.27°C (rough estimate)
- Dichte
- 1.0933 · 1.0933 (rough estimate)
- Brechungsindex
- 1.52 · 1.5200 (estimate)
- Löslichkeit
- Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.32 · 12.32±0.70(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 11.6 mg/L · 11.6mg/L(25 ºC)
Chemie und Industrie
Anwendungen
VerwendenHydrocortisone 21-Propionate is a metabolite of Hydrocortisone 17-Butyrate 21-Propionate (H714665); a synthetic adrenocorticosteroid that acts as an anti-inflammatory and anti-pruritic agent. It is used as a topical for the treatment of dermatologic disorders such as atopic dermatitis and psoriasis.
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