CHEBI:31415 - Clobetasone butyrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Clobetasone butyrate
ChEBI ID CHEBI:31415
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C26H32ClFO5
C26H32ClFO5
Net Charge 0
Average Mass 478.982
Monoisotopic Mass 478.19223
InChI InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1
InChIKey FBRAWBYQGRLCEK-AVVSTMBFSA-N
SMILES O(C(CCC)=O)[C@@]1(C(CCl)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@@](C(C2)=O)(F)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H]
ChEBI Ontology
Outgoing Clobetasone butyrate (CHEBI:31415) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
21-Chloro-11-dehydrobetamethasone DrugCentral
clobetasone 17-butyrate DrugCentral
clobetasone butyrate DrugCentral
Clobetasone butyrate KEGG COMPOUND
Manual Xrefs Databases
3911 DrugCentral
D01273 KEGG DRUG
View more database links
Registry Number Type Source
25122-57-0 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017