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Chemical structure of Methylprednisolone aceponate

GC70229

Methylprednisolone aceponate

Also known as [(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate

Methylprednisolone aceponate (ZK 91588) is a glucocorticoid and anti-inflammatory agent with weak systemic effects

ChemicalCAS86401-95-8MW472.57FormulaC27H36O7
CAS number
86401-95-8
Molecular weight
472.57
Formula
C27H36O7
Solubility
DMSO ： 100 mg/mL (211·61 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
DALKLAYLIPSCQL-YPYQNWSCSA-N
Catalogue number
GC70229
Brand
GLPBIO
Computed properties PubChem CID 63019 · XLogP 3.8 · TPSA 107 Ų · H-bond donors 1
XLogP
3.8
TPSA
107 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34

SMILES CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C

Computed descriptors from PubChem (CID 63019), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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