chempirical

Methylprednisolone succinate

C26H34O8CAS 2921-57-5474.55 g/mol

Open in Covalent MOL file
OHOHOOOOOHO
AlcoholAlkeneCarboxylic acidEsterKetone

Properties

Molecular formula
C26H34O8
Molar mass
474.55 g/mol
Exact mass
474.2254 Da
logP
2.22Crippen estimate
Polar surface area
138.2 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
6
Stereocentres
S, S, S, S, S, S, R, Rin SMILES atom order

Identifiers

CAS number
2921-57-5
SMILES
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12
InChIKey
IMBXEJJVJRTNOW-XYMSELFBSA-N
InChI
InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, (6α,11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-(hydrogen succinate)
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-(H succinate)
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-succinate
  • (6α,11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
  • 6α-Methylprednisolone hemisuccinate
  • 6-Methylprednisolone hemisuccinate
  • 6α-Methylprednisolone 21-succinate
  • Methylprednisolone 21-hemisuccinate
  • Methylprednisolone hemisuccinate

Work with Methylprednisolone succinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methylprednisolone sodium succinate2375-03-381 % similar Prednisolone 21-hemisuccinate2920-86-777 % similar Methylprednisolone acetate53-36-177 % similar Methylprednisolone83-43-271 % similar (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione6870-94-667 % similar Prednisolone sodium succinate1715-33-964 % similar Methylprednisolone aceponate86401-95-863 % similar Prednisolone acetate52-21-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook