Mrv0541 11121410512D 46 50 0 0 0 0 999 V2000 -2.2797 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 -0.4782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8575 -0.8964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1464 -0.4782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1464 0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -0.8964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2797 -1.7330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5686 -2.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -0.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9908 1.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 -1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -0.8964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 -1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9908 -2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9908 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 -2.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5228 -3.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 -2.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0365 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 -3.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4587 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 -2.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5501 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 -2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7972 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4169 -2.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 2 15 1 0 0 0 0 11 15 1 6 0 0 0 1 16 1 0 0 0 0 8 17 1 1 0 0 0 7 18 1 1 0 0 0 9 19 1 1 0 0 0 19 20 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 12 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 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 1 0 0 0 0 41 42 1 0 0 0 0 42 43 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 M END > CHEBI:82975 > naloxegol > An organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation. > 3 > NKTR118; NKTR-118; NKTR 118 > naloxegol > C34H53NO11 > 651.78470 > 651.36186 > 0 > COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 > InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1 > XNKCCCKFOQNXKV-ZRSCBOBOSA-N > 854601-70-0 > 14435712 > 854601-70-0 > D10479 > Naloxegol > 23726675; 24238792; 24896818; 24945932; 24946021; 25112584; 25209526; 25220391; 25278772 $$$$