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CHEBI:229661 - omaveloxolone

ChEBI IDCHEBI:229661
ChEBI Nameomaveloxolone
Stars
DefinitionA semi-synthetic triterpenoid drug. It is an Nrf2 activator that is approved for the treatment of Friedreich's ataxia in adults and adolescents aged 16 years and older.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC33H44F2N2O3
Net Charge0
Average Mass554.722
Monoisotopic Mass554.33200
SMILES[H][C@@]12CC(C)(C)CC[C@]1(NC(=O)C(C)(F)F)CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@]3([H])CC[C@]21C
InChIInChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1
InChIKeyRJCWBNBKOKFWNY-IDPLTSGASA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
omaveloxolone (CHEBI:229661) has parent hydride oleanane (CHEBI:36481)
omaveloxolone (CHEBI:229661) has role anti-inflammatory agent (CHEBI:67079)
omaveloxolone (CHEBI:229661) has role antineoplastic agent (CHEBI:35610)
omaveloxolone (CHEBI:229661) has role antioxidant (CHEBI:22586)
omaveloxolone (CHEBI:229661) has role cardioprotective agent (CHEBI:77307)
omaveloxolone (CHEBI:229661) is a cyclic terpene ketone (CHEBI:36130)
omaveloxolone (CHEBI:229661) is a nitrile (CHEBI:18379)
omaveloxolone (CHEBI:229661) is a organofluorine compound (CHEBI:37143)
omaveloxolone (CHEBI:229661) is a pentacyclic triterpenoid (CHEBI:25872)
omaveloxolone (CHEBI:229661) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicen-4a(2H)-yl]-2,2-difluoropropanamide
INNs  Source
omaveloxoloneWHO MedNet
omavéloxoloneWHO MedNet
omaveloxolonumWHO MedNet
omaveloxolonaWHO MedNet
Synonyms  Source
RTA408ChEBI
RTA 408DrugBank
RTA-408DrugBank
N-(2-cyano-3,12-dioxo-28-noroleana-1,9(11)-dien-17-yl)-2,2-difluoropropanamideChEBI
Brand Name  Source
SkyclarysKEGG DRUG
Manual XrefsDatabases
DB12513DrugBank
D10964KEGG DRUG
OmaveloxoloneWikipedia
Registry NumbersSources
CAS:1474034-05-3DrugBank
Citations