Basic information
- 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- Molecular formula
- C24H32O6
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.21988874
Overview
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.
Names & identifiers
- Preferred 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
- English name
- Methylprednisolone acetate
- Molecular formula
- C24H32O6
- Molecular weight
- 416.51
Names & synonyms
Methylprednisolone acetate53-36-1Depo-medrolDepo-MedrateM-PredrolMedrol acetateDepo-MedroneMethylprednisolone 21-acetate6alpha-Methylprednisolone acetateD-Med6alpha-Methylprednisolone 21-acetateDepo-Methylprednisolone acetate
Show more names
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
Database identifiers
- CAS
53-36-1- PubChem CID
- 5877
- DTXSID
DTXSID7023302- ChEMBL
CHEMBL1364144
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 858
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsActive Ingredients (Methylprednisolone Acetate) -> FDA Greenbook
Physicochemical properties
- Melting point
- 192 · 192-195°C
- alpha
- 20 · D20 +101° (dioxane)
- Boiling point
- 454.82 °C · 454.82°C (rough estimate)
- Density
- 1.1156 · 1.1156 (rough estimate)
- refractive index
- 1.4593 · 1.4593 (estimate)
- storage temp.
- Refrigerator
- solubility
- Practically insoluble in water, sparingly soluble in acetone and in ethanol (96 per cent).
- pka
- 12.41 · 12.41±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- wgk
- WGK 3
- hs_code
- 32041200
- Toxicity
- LD50 oral in rat: > 10gm/kg
- risk_code
- 63-62
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 36/37-24/25
- Storage Class
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
METHYLPREDNISOLONE ACETATE
Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
Uses & manufacturing
UsesExcretion rate: 1
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Applications
Uses6α-Methyl Prednisolone 21-Acetate is used as a glucocorticoid.
UsesMethylprednisolone acetate is used as a glucocorticoid.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
上海策嵘生物科技有限公司[email protected]
深圳市健竹科技有限公司0755-89218110 13480856786
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
5 records
Compound notes
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