Grundinformationen
- Standard-SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C- InChIKey
MOVRKLZUVNCBIP-RFZYENFJSA-N- Summenformel
- C23H28O6
- Durchschnittliche Molmasse
- 400,5 g/mol
- Monoisotopische Masse
- 400,18858862
Überblick
Cortancyl is a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 20-oxo steroid, an acetate ester, an 11-oxo steroid, a steroid ester and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a prednisone.
Namen und Bezeichner
- Bevorzugter Name
- Prednisone acetate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- Lokaler Name
- Prednison-21-acetat
- Englischer Name
- Prednisone 21-acetate
- Summenformel
- C23H28O6
- Molmasse
- 400.46
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
125-10-0- PubChem CID
- 91438
- DTXSID
DTXSID20154539- ChEMBL
CHEMBL1507567- ChEBI
CHEBI:34655- UNII
- OU93QEL83U
- EC Number
- 204-726-0
- Nikkaji
- J86.135I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 97,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 869
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 240 · 240-242°C (dec.)
- Siedepunkt
- 582 · 582.0±50.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Dioxane (Sparingly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.31 · 12.31±0.60(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 23 mg/L · 23mg/L(25 ºC)
- InChIKey
- MOVRKLZUVNCBIP-RFZYENFJSA-N
- SMILES
- C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)COC(C)=O)CC3)CC2
- CAS Datenbank
- 125 · 125-10-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H361
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)
Anwendungen
VerwendenAdrenocortical steroid antiinflammatory.
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