Mrv1718004301812432D 46 49 0 0 0 0 999 V2000 0.3562 -0.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -0.2067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 -1.4432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 -2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 -2.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -0.2067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -3.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 1.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 -2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 -3.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 3.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3594 -2.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0738 -2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 3.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0738 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 3.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 3.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 3.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 3.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 3.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 2 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 32 2 0 0 0 0 27 32 1 0 0 0 0 28 33 2 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 M END > DB11206 > drugbank > CCCCC(CC)COC1=CC(O)=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(OC)C=C1)C1=C(O)C=C(OCC(CC)CCCC)C=C1 > InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3 > XVAMCHGMPYWHNL-UHFFFAOYSA-N > C38H49N3O5 > 627.826 > 627.36722169 > 8 > 95 > 75.71284920882857 > 0 > 2 > 0 > 0 > 5-[(2-ethylhexyl)oxy]-2-(4-{4-[(2-ethylhexyl)oxy]-2-hydroxyphenyl}-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl)phenol > 8.26 > 11.621529370333333 > -6.27 > 1 > 4 > -1 > 6.973505572917466 > 6.369509348630395 > 0.35301857401087566 > 106.82000000000002 > 216.40269999999998 > 18 > 0 > 3.39e-04 g/l > tinosorb S > 0 > DB11206 > approved > Bemotrizinol > Bemotrizinol; 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