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-hydroxyacetic Acid
Grundinformationen
- CAS
75879-78-6- Standard-SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(O)C(=O)O- InChIKey
KZENJDWRIKLICU-PEIJZJCNSA-N- Summenformel
- C21H30O6
- Durchschnittliche Molmasse
- 378,5 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 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-hydroxyacetic Acid
- 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-hydroxyacetic acid
- Englischer Name
- 20-Dihydro Hydrocortisone 21-Carboxylic Acid
- Summenformel
- C21H30O6
- Molmasse
- 378.46
Namen und Synonyme
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-hydroxyacetic Acid2-[(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-hydroxyacetic acid20-Dihydro Hydrocortisone 21-Carboxylic Acid20-Dihydro Hydrocortisone 21-Carboxylic Acid DiscontinuedPregn-4-en-21-oic acid, 11,17,20-trihydroxy-3-oxo-, (11β)- (9CI)
Datenbank-Bezeichner
- CAS
75879-78-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 115 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 715
Physikochemische Eigenschaften
- Siedepunkt
- 617.9 · 617.9±55.0 °C(Predicted)
- Dichte
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.11(Predicted)
Chemie und Industrie
Anwendungen
Verwenden20-Dihydro Hydrocortisone 21-Carboxylic Acid is a new class of corticosteroids synthesized on the basis of the antedrug concept, possess local anti-inflammatory activity without systemic toxicties.
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