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CHEBI:31485 - Difluprednate

ChEBI IDCHEBI:31485
ChEBI NameDifluprednate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC27H34F2O7
Net Charge0
Average Mass508.558
Monoisotopic Mass508.22726
SMILES[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKeyWYQPLTPSGFELIB-JTQPXKBDSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Difluprednate (CHEBI:31485) is a butyrate ester (CHEBI:50477)
Difluprednate (CHEBI:31485) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
DifluprednateKEGG COMPOUND
durezolDrugCentral
Manual XrefsDatabases
C12695KEGG COMPOUND
D01266KEGG DRUG
3142DrugCentral
HMDB0015676HMDB
HMDB0061149HMDB
Registry NumbersSources
CAS:23674-86-4KEGG COMPOUND