447030 -OEChem-12091916223D 22 21 0 0 0 0 0 0 0999 V2000 -2.2349 -1.9190 -0.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 0.0343 -0.1522 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -0.6575 0.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1517 1.5688 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 0.6462 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 -0.3208 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 1.1564 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -0.8253 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 0.3170 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 1.5021 -0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 0.1430 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 -1.1829 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 0.1802 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 1.6830 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 1.8669 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8773 -1.3615 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6057 0.0041 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2673 -1.5114 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5727 -0.4520 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1428 1.6844 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 2.4124 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -2.4825 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 22 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 M END > DB02727 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ULDDTFAPYWLDGF-UHFFFAOYSA-N/SDF?record_type=3d > CCCC\N=C(/N)NO > InChI=1S/C5H13N3O/c1-2-3-4-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8) > ULDDTFAPYWLDGF-UHFFFAOYSA-N > C5H13N3O > 131.1762 > 131.105862053 > 4 > 22 > 14.679948385656767 > 1 > 3 > 0 > 0 > (E)-N''-butyl-N-hydroxyguanidine > 0.25 > 0.37238767133333317 > -1.29 > 0 > 0 > 1 > 18.797419252704 > 14.819723336234357 > 10.24989224159934 > 70.64 > 46.4716 > 3 > 1 > 6.65e+00 g/l > [(1R,2S,6S,9R,11S)-11-(hydroxymethyl)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl sulfamate > 0 $$$$