3699 -OEChem-10051720493D 36 36 0 0 0 0 0 0 0999 V2000 -1.8253 -1.4892 -0.0532 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 1.7007 0.0222 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.1585 -1.4176 -0.9648 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 -1.3107 1.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 2.7126 -0.4331 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 1.8989 -1.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9794 -2.7136 -0.2429 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 1.8946 1.4292 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 0.0992 0.6274 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -1.0089 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -0.8793 1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -1.2766 -0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 0.4604 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1367 -0.1705 -1.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2764 1.1633 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 0.2595 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 0.0770 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5841 -1.9133 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -1.6685 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9434 -1.0957 2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -1.5713 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0485 -2.1655 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 0.2944 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 1.1577 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4897 0.7025 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 -0.5463 -2.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 1.7638 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 1.8881 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 0.8332 -1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0866 -0.6071 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 0.1220 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.1395 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 -2.1885 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8907 -2.0627 1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 3.6767 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3689 2.7154 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 17 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 2 0 0 0 0 2 17 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 32 1 0 0 0 0 M END > DB06255 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LWRDQHOZTAOILO-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O > InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15) > LWRDQHOZTAOILO-UHFFFAOYSA-N > C8H19NO6P2 > 287.189 > 287.068761332 > 7 > 36 > 25.083742742310708 > 1 > 5 > 0 > 0 > [(cycloheptylamino)(phosphono)methyl]phosphonic acid > -0.06 > -1.3763154756938276 > -1.36 > 0 > 1 > -2 > -0.3925495993388095 > -1.1347254333989136 > 5.567876959443684 > 127.09000000000002 > 61.7702 > 4 > 1 > 1.25e+01 g/l > incadronic acid > 0 $$$$