60852 -OEChem-08122023413D 42 41 0 1 0 0 0 0 0999 V2000 2.5682 -0.6734 -1.2736 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 1.8118 0.5149 P 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -0.1722 1.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -2.0745 -0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 0.2810 -1.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 2.4778 -0.0747 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8907 2.0685 2.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 -0.7592 -2.2966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 2.3013 -0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 -1.6420 1.0038 N 0 0 1 0 0 0 0 0 0 0 0 0 2.0457 0.0048 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 -0.8499 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.8038 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 -1.5834 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1929 -0.1437 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5706 -0.0623 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -3.0244 1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0686 1.3811 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4517 1.4626 -1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -1.8719 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 -0.5357 2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 0.2405 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -1.1146 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4027 -2.1915 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6357 -1.9923 -0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 0.5056 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 0.2698 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 -0.4835 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2852 -0.6699 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 -3.6853 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 -3.4059 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 -3.1456 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 -1.1155 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3709 1.9878 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 1.8135 0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6242 -2.6390 -1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2373 0.1442 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1964 3.4553 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 2.9713 2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7879 2.5033 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4444 1.0659 -2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1813 0.8936 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 33 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 M END > DB00710 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MPBVHIBUJCELCL-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O > InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17) > MPBVHIBUJCELCL-UHFFFAOYSA-N > C9H23NO7P2 > 319.2289 > 319.094975119 > 8 > 42 > -1.5705033891736435 > 29.056679429792744 > 1 > 5 > 0 > 0 > {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid > 0.26 > -2.4814348803220447 > -1.38 > 0 > -2 > 0 > -2 > 1.4244044718320972 > 0.6608222939523442 > 9.934858102751113 > 138.53 > 71.16269999999999 > 9 > 1 > 1.34e+01 g/l > unii-71TH42O2CQ > 0 $$$$