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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | apremilast | |
| Synonyms |
apremilast CC 10004 CC10004 CC-10004 OTEZLA apremilastum N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide |
|
| Definitions |
A member of the class of isoindoles that is isoindole-1,3-dione substituted at position 4 by an acetamido group and at position 1 by a 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl group. Used for treatment of psoriatic arthritis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_78540 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:25027606 Drug_Central:4829 PMID:24979544 PMID:24852768 KEGG:D08860 PMID:24702658 PMID:24882690 PMID:24998661 PMID:24072562 PMID:25050054 PMID:24962564 PMID:23569359 PMID:25054629 PMID:24869713 PMID:22984171 Wikipedia:Apremilast PMID:24846499 PMID:24797159 PMID:24595547 PMID:23986162 PMID:23588944 PMID:22910104 PMID:23663752 PMID:24997741 PMID:24592316 PMID:23030767 CAS:608141-41-9 Reaxys:12446985
|
|
| definition |
A member of the class of isoindoles that is isoindole-1,3-dione substituted at position 4 by an acetamido group and at position 1 by a 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl group. Used for treatment of psoriatic arthritis.
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|
| formula |
C22H24N2O7S
|
|
| has role | ||
| has_exact_synonym |
N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide
|
|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
apremilast CC 10004 CC10004 CC-10004 OTEZLA apremilastum
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|
| id |
CHEBI:78540
|
|
| in_subset | ||
| inchi |
InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
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|
| inchikey |
IMOZEMNVLZVGJZ-QGZVFWFLSA-N
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|
| label |
apremilast
|
|
| mass |
460.50000
|
|
| monoisotopicmass |
460.13042
|
|
| notation |
CHEBI:78540
|
|
| prefLabel |
apremilast
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|
| smiles |
CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35850 http://purl.obolibrary.org/obo/CHEBI_13790 |
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| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 http://purl.obolibrary.org/obo/CHEBI_13790 |
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