CHEBI:135618 - chloroprednisone

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ChEBI Name chloroprednisone
ChEBI ID CHEBI:135618
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H25ClO5
Net Charge 0
Average Mass 392.874
Monoisotopic Mass 392.13905
InChI InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15,18,23,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,18+,19-,20-,21-/m0/s1
InChIKey NPSLCOWKFFNQKK-ZPSUVKRCSA-N
SMILES C[C@@]12[C@]([C@]3([C@](C(C1)=O)([C@]4(C)C([C@H](C3)Cl)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
ChEBI Ontology
Outgoing chloroprednisone (CHEBI:135618) is a 21-hydroxy steroid (CHEBI:35344)
Manual Xref Database
3093 DrugCentral
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Registry Number Type Source
52080-57-6 CAS Registry Number DrugCentral
Last Modified
23 February 2017