chempirical

Methylprednisolone

C22H30O5CAS 83-43-2374.48 g/mol

Open in Covalent MOL file
HOOHOOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C22H30O5
Molar mass
374.48 g/mol
Exact mass
374.2093 Da
Melting point
228–237 °C
logP
1.80Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
S, S, S, S, S, S, R, Rin SMILES atom order

Identifiers

CAS number
83-43-2
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)CO)[C@@]2(C)C=CC(=O)C=C12
InChIKey
VHRSUDSXCMQTMA-PJHHCJLFSA-N
InChI
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1

Weigh it out

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

Names and synonyms

39 names · show all
  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6α,11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-
  • (6α,11β)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione
  • Medrol
  • Medrone
  • δ1-6α-Methylhydrocortisone
  • 6α-Methylprednisolone
  • Metrisone
  • 11β,17,21-Trihydroxy-6α-methylpregna-1,4-diene-3,20-dione
  • 11β,17α,21-Trihydroxy-6α-methyl-1,4-pregnadiene-3,20-dione
  • Urbason
  • Urbasone
  • Wyacort
  • 6α-Methyl-11β,17α,21β-trihydroxy-1,4-pregnadiene-3,20-dione
  • Dopomedrol
  • Besonia
  • Promacortine
  • Metastab
  • Metilbetasone
  • Medesone
  • Medrate
  • Moderin
  • Noretona
  • Urbazone
  • Metipred
  • U 7532
  • Methypred
  • Suprametil
  • NSC 19987
  • A-Methapred
  • Medorol
  • Medralone
  • M-Prednisol
  • Duralone
  • Prednol
  • Prednol L
  • Solimedrol
  • Metilprednisolone
  • SW 196788

Work with Methylprednisolone

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

(6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione6870-94-679 % similar Methylprednisolone acetate53-36-177 % similar Prednisolone50-24-872 % similar Methylprednisolone succinate2921-57-571 % similar Methylprednisolone sodium succinate2375-03-369 % similar Methylprednisolone aceponate86401-95-860 % similar Prednisolone acetate52-21-156 % similar Deprodone20423-99-855 % similar

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

Same formula

(7α,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook