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prednisolone phosphate

Go to external page http://purl.obolibrary.org/obo/CHEBI_145705

A synthetic glucocorticoid resulting from the formal condensation of the 21-hydroxy group of prednisolone with one of the hydroxy groups of phosphoric acid. It is a prodrug for prednisolone that is activated in vivo by phosphatases.

Term info

Label

prednisolone phosphate

Synonyms
  • 11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate [ IUPAC ]

charge

0

formula

C21H29O8P

has obo namespace

chebi_ontology

has related synonym

prednisolone 21-monophosphate, prednisolone 21-(dihydrogen phosphate), prednisolone 21-phosphate

id

CHEBI:145705

inchi

InChI=1S/C21H29O8P/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

inchikey

JDOZJEUDSLGTLU-VWUMJDOOSA-N

mass

440.429

monoisotopicmass

440.16000

smiles

C[C@@]12C[C@@H]([C@]3([C@]([C@]2([H])CC[C@@]1(C(COP(=O)(O)O)=O)O)(CCC=4[C@]3(C)C=CC(C4)=O)[H])[H])O