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CHEBI:31665 - Halopredone acetate

Default Structure
ChEBI IDCHEBI:31665
ChEBI NameHalopredone acetate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H29BrF2O7
Net Charge0
Average Mass559.400
Monoisotopic Mass558.10647
SMILES[H][C@@]12CC[C@](OC(C)=O)(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(Br)=C[C@@]21C
InChIInChI=1S/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3/t14-,15-,18+,20-,22-,23-,24-,25-/m0/s1
InChIKeyYCISZOVUHXIOFY-HKXOFBAYSA-N
ChEBI Ontology
Outgoing Relation(s)
Halopredone acetate (CHEBI:31665) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
alopredoneDrugCentral
haloartDrugCentral
Halopredone acetateKEGG COMPOUND
THS-201DrugCentral
Manual XrefsDatabases
1354DrugCentral
D01743KEGG DRUG
Registry NumbersSources
CAS:57781-14-3KEGG COMPOUND