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CHEBI:135819 - dexamethasone acefurate

ChEBI IDCHEBI:135819
ChEBI Namedexamethasone acefurate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC29H33FO8
Net Charge0
Average Mass528.573
Monoisotopic Mass528.21595
SMILES[H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1
InChIKeyDDIWRLSEGOVQQD-BJRLRHTOSA-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)
dexamethasone acefurate (CHEBI:135819) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
dexamethasone cipecilateDrugCentral
Manual XrefsDatabases
825DrugCentral
Registry NumbersSources
CAS:83880-70-0DrugCentral