chempirical

Prednisolone 21-hemisuccinate

C25H32O8CAS 2920-86-7460.52 g/mol

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AlcoholAlkeneCarboxylic acidEsterKetone

Properties

Molecular formula
C25H32O8
Molar mass
460.52 g/mol
Exact mass
460.2097 Da
Melting point
206.5–209.5 °C
logP
1.97Crippen estimate
Polar surface area
138.2 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
6
Stereocentres
R, S, S, S, S, S, Rin SMILES atom order

Identifiers

CAS number
2920-86-7
SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O
InChIKey
APGDTXUMTIZLCJ-CGVGKPPMSA-N
InChI
InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/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-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(hydrogen succinate)
  • (11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione
  • δ1-Hydrocortisone 21-hemisuccinate
  • Prednisolone hemisuccinate
  • Prednisolone succinate
  • Prednisolone bisuccinate
  • Prednisolone 21-succinate
  • Prednisolut
  • Prednisolone 21-O-β-carbonylpropionic acid

Work with Prednisolone 21-hemisuccinate

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

Prednisolone sodium succinate1715-33-979 % similar Methylprednisolone succinate2921-57-577 % similar Prednisolone acetate52-21-177 % similar Prednisolone50-24-871 % similar Hydrocortisone hemisuccinate2203-97-670 % similar Prednisolone sodium phosphate125-02-067 % similar Deprodone20423-99-866 % similar Prednicarbate73771-04-764 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook