Ketcher 02212414002D 1 1.00000 0.00000 0 43 47 0 1 0 999 V2000 12.0436 -6.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3738 -7.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7135 -10.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8475 -8.0411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 -8.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -9.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 -7.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7757 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6417 -7.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7757 -9.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1776 -8.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6417 -8.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3115 -9.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -10.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7757 -6.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3115 -10.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5077 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6417 -5.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1776 -10.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5077 -6.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1776 -7.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 -10.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5077 -8.0411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 -8.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1417 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 -10.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 -9.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9455 -11.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9455 -11.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7135 -8.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3115 -11.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3115 -8.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -8.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 -6.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7757 -8.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2398 -8.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3738 -6.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1058 -7.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7398 -8.9071 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.7397 -8.9071 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 -9.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 2 24 1 0 0 0 3 28 2 0 0 0 4 32 3 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 6 14 1 0 0 0 7 8 1 0 0 0 7 20 1 0 0 0 8 9 1 0 0 0 8 15 1 0 0 0 9 12 1 0 0 0 9 17 1 0 0 0 9 24 1 1 0 0 10 12 1 0 0 0 11 13 1 0 0 0 11 22 2 0 0 0 13 16 1 0 0 0 13 25 1 0 0 0 14 19 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 16 23 1 0 0 0 16 33 1 6 0 0 17 21 1 0 0 0 18 21 1 0 0 0 18 26 1 0 0 0 18 27 1 0 0 0 20 22 1 0 0 0 23 28 1 0 0 0 23 30 1 0 0 0 23 31 1 0 0 0 25 29 2 0 0 0 28 29 1 0 0 0 29 32 1 0 0 0 13 34 1 1 0 0 6 35 1 1 0 0 7 36 1 1 0 0 8 37 1 1 0 0 2 38 1 0 0 0 2 39 2 0 0 0 38 40 1 0 0 0 38 41 1 0 0 0 38 42 1 0 0 0 5 43 1 6 0 0 M END > CHEBI:229661 > omaveloxolone > A 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. > 3 > RTA408; RTA-408; RTA 408; N-(2-cyano-3,12-dioxo-28-noroleana-1,9(11)-dien-17-yl)-2,2-difluoropropanamide > 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 > omaveloxolonum; omaveloxolone; omaveloxolone; omaveloxolona > Skyclarys > C33H44F2N2O3 > 554.723 > 554.33200 > 0 > [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)NC(=O)C(C)(F)F > InChI=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 > RJCWBNBKOKFWNY-IDPLTSGASA-N > 1474034-05-3 > DB12513 > D10964 > Omaveloxolone > 28919776; 29476889; 29925185; 31118567; 31185608; 31256292; 31487581; 33017422; 33295701; 34573098; 34709651; 34721761; 35285087; 35883884; 36032663; 36444905; 36708320; 37077825; 37094050; 37137161; 37142519; 37155124; 37219716; 37352984; 37691319; 37773082; 37795909; 37951537; 38047307; 38145457; 38269532; 38272714 $$$$