CHEBI:135986 - fluclorolone

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ChEBI Name fluclorolone
ChEBI ID CHEBI:135986
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H25Cl2FO5
Net Charge 0
Average Mass 447.325
Monoisotopic Mass 446.10631
InChI InChI=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
InChIKey VTWKPILBIUBMDS-OTJLYDAYSA-N
SMILES Cl[C@@]12[C@]([C@]3([C@@](C[C@@H]1Cl)(C)[C@]([C@@H](C3)O)(C(CO)=O)O)[H])(C[C@@H](C=4[C@]2(C)C=CC(C4)=O)F)[H]
ChEBI Ontology
Outgoing fluclorolone (CHEBI:135986) is a 21-hydroxy steroid (CHEBI:35344)
Manual Xref Database
4546 DrugCentral
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Registry Number Type Source
3693-38-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017