Preferred Name |
apremilast |
|
Synonyms |
N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide apremilast CC 10004 CC10004 CC-10004 OTEZLA apremilastum |
|
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. |
|
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 |
|
has_related_synonym |
apremilast CC 10004 CC10004 CC-10004 OTEZLA apremilastum |
|
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 |
|
inchikey |
IMOZEMNVLZVGJZ-QGZVFWFLSA-N |
|
label |
apremilast |
|
mass |
460.50000 |
|
monoisotopicmass |
460.13042 |
|
notation |
CHEBI:78540 |
|
prefLabel |
apremilast |
|
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 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 http://purl.obolibrary.org/obo/CHEBI_13790 |