Grundinformationen
- CAS
53-36-1- Standard-SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
PLBHSZGDDKCEHR-LFYFAGGJSA-N- Summenformel
- C24H32O6
- Durchschnittliche Molmasse
- 416,5 g/mol
- Monoisotopische Masse
- 416,21988874
Überblick
Methylprednisolone acetate is an acetate ester resulting from the formal condensation of the 21-hydroxy function of 6alpha-methylprednisolone compound with acetic acid. It has a role as an anti-inflammatory drug. It is a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, an acetate ester, a steroid ester and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a 6alpha-methylprednisolone.
Namen und Bezeichner
- Bevorzugter Name
- Methylprednisolone Acetate
- IUPAC
- [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- Lokaler Name
- Methylprednisolon-21-acetat
- Englischer Name
- Methylprednisolone acetate
- Summenformel
- C24H32O6
- Molmasse
- 416.51
Namen und Synonyme
Methylprednisolone acetate53-36-1Depo-medrolDepo-MedrateM-PredrolMedrol acetateDepo-MedroneMethylprednisolone 21-acetate6alpha-Methylprednisolone acetateD-Med6alpha-Methylprednisolone 21-acetateDepo-Methylprednisolone acetate
Weitere Namen anzeigen
Methylprednisolone EP Impurity Ju8210MepredNSC 48985Vetacortyl11-beta)-hLumi-6αdepot-medrol
DTXSID7023302Methyl prednisolone acetate11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetateNSC-4898543502P7F0PCHEBI:6889DTXCID703302NSC48985
Datenbank-Bezeichner
- CAS
53-36-1- PubChem CID
- 5877
- DTXSID
DTXSID7023302- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 858
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsActive Ingredients (Methylprednisolone Acetate) -> FDA Greenbook
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 · 192-195°C
- Siedepunkt
- 454.82 °C · 454.82°C (rough estimate)
- Dichte
- 1.1156 · 1.1156 (rough estimate)
- Brechungsindex
- 1.4593 · 1.4593 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- Practically insoluble in water, sparingly soluble in acetone and in ethanol (96 per cent).
- pka
- 12.41 · 12.41±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- InChIKey
- PLBHSZGDDKCEHR-OJNHZLOINA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H360 (39.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 14-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21151
Methylprednisolone acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-: Human health tier I assessment
Hazard Classes and CategoriesRepr. 1B (39.2%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 32041200
- risk_code
- 63-62
- Toxizität
- LD50 oral in rat: > 10gm/kg
- hazard_code
- Xn
- safety_code
- 36/37-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
METHYLPREDNISOLONE ACETATE
Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
Verwendung und Herstellung
UsesExcretion rate: 1
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Anwendungen
VerwendenMethylprednisolone acetate is used as a glucocorticoid.
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