Mrv1652312081619462D 52 55 0 0 1 0 999 V2000 -12.7302 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0157 0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3012 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5868 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8723 1.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1578 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4434 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7289 0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0144 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2999 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5855 1.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1565 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4421 0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7276 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 1.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1303 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 1.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 0.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4058 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0659 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0078 -0.3698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6537 -1.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4735 -1.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -2.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4239 -2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 -1.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1557 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 -0.5727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6881 -0.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0583 -0.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2185 0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3419 -0.7003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 -1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7555 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6349 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 -2.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7885 -0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4662 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8787 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8787 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4662 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7037 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6412 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 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 10 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 14 15 1 0 0 0 0 15 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 24 23 1 1 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 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 30 35 1 0 0 0 0 36 35 1 6 0 0 0 27 36 1 0 0 0 0 36 37 1 0 0 0 0 24 37 1 0 0 0 0 37 38 1 1 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 28 41 1 6 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 33 45 1 0 0 0 0 27 46 1 6 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 47 52 1 0 0 0 0 M END > DBSALT001245 > drugbank > OC(=O)C(O)=O.COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5 > InChI=1S/C34H53NO11.C2H2O4/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;3-1(4)2(5)6/h3-5,28-29,32,36-37H,1,6-25H2,2H3;(H,3,4)(H,5,6)/t28-,29+,32-,33-,34+;/m0./s1 > MNYIRXLCPODKLG-VUTNLTPYSA-N > C36H55NO15 > 741.828 > 741.357170075 > 12 > 107 > 72.87109384204567 > 0 > 2 > 0 > 0 > (1S,5R,13R,14S,17S)-14-(2,5,8,11,14,17,20-heptaoxadocosan-22-yloxy)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol; oxalic acid > 1.73 > 1.3564175840257162 > -4.06 > 1 > 5 > 1 > 13.602821722404922 > 10.1441325147756 > 8.535683709998867 > 126.77000000000002 > 171.6753 > 25 > 0 > 5.66e-02 g/l > (1S,5R,13R,14S,17S)-14-(2,5,8,11,14,17,20-heptaoxadocosan-22-yloxy)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol; oxalic acid > 0 > DBSALT001245 > Naloxegol oxalate > DB09049 > Naloxegol > 1354744-91-4 > 65I14TNM33 $$$$