Mrv1909 05201915162D 64 75 0 0 1 0 999 V2000 13.3658 1.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6211 0.6161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0621 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3489 -0.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9260 -1.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9391 -1.6578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7576 -1.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0563 -0.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8810 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1927 -0.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6727 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9902 1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8084 1.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3091 0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1259 2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9441 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2616 3.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0798 3.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3974 3.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2156 4.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5331 4.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3513 4.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6688 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1681 6.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4870 5.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8045 6.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2743 7.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4583 7.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3469 8.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6517 8.7362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9147 8.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6848 9.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4312 9.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2211 9.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4267 10.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1945 9.4007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7632 8.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4420 8.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9612 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6367 6.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6151 7.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0888 8.6952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9190 9.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4488 10.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2294 10.2009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9040 10.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8300 11.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1967 12.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7254 12.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3587 12.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8241 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5335 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6615 -0.3762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8164 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6741 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3955 -2.2461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5334 -3.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8979 -3.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8205 -4.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9992 -4.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0765 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4469 0.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1124 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 27 41 1 0 0 0 0 39 42 2 0 0 0 0 28 42 1 0 0 0 0 43 42 1 6 0 0 0 30 43 1 0 0 0 0 43 35 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 37 46 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 48 51 1 0 0 0 0 12 52 1 0 0 0 0 52 53 2 0 0 0 0 9 53 1 0 0 0 0 54 53 1 1 0 0 0 5 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 7 57 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 59 62 1 0 0 0 0 54 63 1 0 0 0 0 63 2 1 0 0 0 0 63 64 1 6 0 0 0 52 64 1 0 0 0 0 M END > DB15341 > drugbank > O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(OC(=O)CCCCCCCCC(=O)OC5=C6O[C@H]7[C@@H](O)CC[C@@]8(O)[C@H]9CC(C=C5)=C6[C@@]78CCN9CC5CCC5)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5 > InChI=1S/C52H68N2O10/c55-35-19-21-51(59)39-27-33-15-17-37(45-43(33)49(51,47(35)63-45)23-25-53(39)29-31-9-7-10-31)61-41(57)13-5-3-1-2-4-6-14-42(58)62-38-18-16-34-28-40-52(60)22-20-36(56)48-50(52,44(34)46(38)64-48)24-26-54(40)30-32-11-8-12-32/h15-18,31-32,35-36,39-40,47-48,55-56,59-60H,1-14,19-30H2/t35-,36-,39+,40+,47-,48-,49-,50-,51+,52+/m0/s1 > ALOIOAGKUOQNID-ITCIXCFHSA-N > C52H68N2O10 > 881.12 > 880.487396398 > 10 > 132 > 99.72761274541304 > 0 > 4 > 0 > 0 > (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-10-yl (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-10-yl decanedioate > 5.34 > 5.942830617333334 > -5.29 > 1 > 12 > 2 > 13.653041144710274 > 13.174467529691427 > 10.109468355971092 > 158.46 > 238.15839999999992 > 17 > 0 > 4.48e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 > DB15341 > investigational > Dinalbuphine sebacate > Dinalbuphine sebacate; NALBUPHINE SEBACATE $$$$