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CHEBI:135986 - fluclorolone

ChEBI IDCHEBI:135986
ChEBI Namefluclorolone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H25Cl2FO5
Net Charge0
Average Mass447.330
Monoisotopic Mass446.10631
SMILES[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](Cl)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C21H25Cl2FO5/c1-18-4-3-10(26)5-13(18)14(24)6-12-11-7-16(27)21(29,17(28)9-25)19(11,2)8-15(22)20(12,18)23/h3-5,11-12,14-16,25,27,29H,6-9H2,1-2H3/t11-,12-,14-,15-,16+,18-,19-,20-,21-/m0/s1
InChIKeyVTWKPILBIUBMDS-OTJLYDAYSA-N
ChEBI Ontology
Outgoing Relation(s)
fluclorolone (CHEBI:135986) is a 21-hydroxy steroid (CHEBI:35344)
Manual XrefsDatabases
4546DrugCentral
Registry NumbersSources
CAS:3693-38-7DrugCentral