6518 -OEChem-04201811183D 29 28 0 0 0 0 0 0 0999 V2000 2.3569 0.7105 -0.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 -2.3498 0.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3602 -0.6750 -0.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6794 2.3564 0.1422 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 0.8880 -2.1511 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9522 -3.2421 2.1635 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2685 -0.9733 -2.1536 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9727 3.2433 2.1500 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5244 1.3609 -0.3641 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -4.5181 0.3757 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5389 -1.2962 -0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 4.5334 0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 1.0162 -0.9452 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0238 -3.4761 0.9564 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4960 -1.0131 -0.9438 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0142 3.4839 0.9429 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.0060 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 0.3232 -0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3434 -1.1968 0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2071 -0.3639 -0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 1.1945 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 -0.5571 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 1.1423 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 -0.9125 1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 -1.4216 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -1.2244 -1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 0.4913 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 0.9224 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 1.4058 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 21 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 M CHG 8 5 -1 6 -1 7 -1 8 -1 13 1 14 1 15 1 16 1 M END > DB06154 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TZRXHJWUDPFEEY-UHFFFAOYSA-N/SDF?record_type=3d > [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O > InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2 > TZRXHJWUDPFEEY-UHFFFAOYSA-N > C5H8N4O12 > 316.1366 > 316.01387174 > 12 > 29 > 22.79319562386984 > 0 > 0 > 0 > 1 > 3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate > 1.62 > 0.055472052666666105 > -3.38 > 0 > 0 > 0 > -5.468304688773904 > 209.48 > 54.48690000000001 > 12 > 0 > 1.33e-01 g/l > pentaerythritol tetranitrate > 0 $$$$