chempirical

Prednicarbate

C27H36O8CAS 73771-04-7488.58 g/mol

Open in Covalent MOL file
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AlcoholAlkeneCarbonateEsterKetone

Properties

Molecular formula
C27H36O8
Molar mass
488.58 g/mol
Exact mass
488.2410 Da
Melting point
110–112 °C
logP
3.70Crippen estimate
Polar surface area
116.2 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
6
Stereocentres
R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
73771-04-7
SMILES
CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
FNPXMHRZILFCKX-KAJVQRHHSA-N
InChI
InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/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, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11β)-
  • (11β)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
  • HOE 777
  • Regenit
  • EsCort
  • S 77-0777
  • Dermatop
  • Prednitop
  • Prednisolone 17-(ethyl carbonate) 21-propionate
  • BRD-K46137903

Work with Prednicarbate

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

Loteprednol etabonate82034-46-673 % similar Prednisolone 21-hemisuccinate2920-86-764 % similar Prednisolone sodium succinate1715-33-963 % similar Prednisolone acetate52-21-161 % similar Methylprednisolone aceponate86401-95-860 % similar Prednisolone50-24-858 % similar Deprodone20423-99-856 % similar Rimexolone49697-38-355 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook