chempirical

Prednisolone sodium phosphate

C21H27Na2O8PCAS 125-02-0484.39 g/mol

Open in Covalent MOL file
OHOOOPO−O−OOHNa+Na+
AlcoholAlkeneKetonePhosphate

Properties

Molecular formula
C21H27Na2O8P
Molar mass
484.39 g/mol
Exact mass
484.1239 Da
logP
0.91Crippen estimate
Polar surface area
141.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
125-02-0
SMILES
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]3(C)C[C@H](O)[C@H]21.[Na+].[Na+]
InChIKey
ZXUCCRQGCTXZCF-OJJGEMKLSA-N
InChI
InChI=1S/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1

Weigh it out

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

Names and synonyms

28 names · show all
  • Sodium prednisolone phosphate
  • Prednisolone 21-phosphate disodium salt
  • Prozorin
  • Solucort
  • Inflamase
  • Optival
  • Phortisolone
  • Prednesol
  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(dihydrogen phosphate), disodium salt
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-phosphate, disodium salt
  • Codelsol
  • Disodium prednisolone 21-phosphate
  • Hydeltrasol
  • Prednisolone disodium phosphate
  • Prednisolone 21-phosphate disodium
  • Prednisolone 21-(disodium phosphate)
  • Predsol
  • Predsolan
  • Dojilon
  • Ak-pred
  • Metreton
  • Hefasolon
  • Pediapred
  • Solu-predalone
  • Predonema
  • Orapred
  • TRM 484

Work with Prednisolone sodium phosphate

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 succinate1715-33-974 % similar Prednisolone acetate52-21-171 % similar Prednisolone50-24-870 % similar Hydrocortisone sodium phosphate6000-74-470 % similar Prednisolone 21-hemisuccinate2920-86-767 % similar Deprodone20423-99-865 % similar Methylprednisolone sodium succinate2375-03-358 % similar Methylprednisolone acetate53-36-155 % similar

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

Elsewhere

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