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Substance Name: Prednisolone 21-glucoside
RN: 88158-44-5
InChIKey: NGBXJGQRGMDPJB-ORFIPJRPSA-N

Note

  • Prodrug of prednisolone used in treating inflammatory bowel disease.

Molecular Formula

  • C27-H38-O10

Molecular Weight

  • 522.5872
 
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Names and Synonyms

Name of Substance

  • Prednisolone 21-glucoside

Synonym

  • Prednisolone 21beta-D-glucoside

Registry Numbers

CAS Registry Number

  • 88158-44-5

System Generated Number

  • 0088158445

Structure Descriptors

InChI

1S/C27H38O10/c1-25-7-5-14(29)9-13(25)3-4-15-16-6-8-27(35,26(16,2)10-17(30)20(15)25)19(31)12-36-24-23(34)22(33)21(32)18(11-28)37-24/h5,7,9,15-18,20-24,28,30,32-35H,3-4,6,8,10-12H2,1-2H3/t15-,16-,17-,18+,20+,21+,22-,23+,24?,25-,26-,27-/m0/s1

InChIKey

NGBXJGQRGMDPJB-ORFIPJRPSA-N

Smiles

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)CCC5=CC(=O)C=C[C@]35C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.27 (none)   EXP
Water Solubility 413 mg/L 25 EST
Vapor Pressure 6.64E-22 mm Hg 25 EST
Henry's Law Constant 2.60E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.