28425 -OEChem-10051722013D 38 41 0 0 0 0 0 0 0999 V2000 -2.1574 2.4045 -0.3191 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 0.8788 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 -1.4151 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2385 0.8258 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 -0.5249 -2.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 -0.3589 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 0.6361 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 -1.5828 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 -0.5964 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8384 2.2152 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -0.3778 0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0047 1.4702 0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 -2.8008 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 -0.9827 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -1.6045 1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 1.0799 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -2.8053 0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8252 -0.1355 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 3.6741 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 -2.3739 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 1.6533 -2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 0.9100 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 -1.0355 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2237 -0.3251 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 3.0367 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 2.2484 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 0.5218 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 2.4152 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 -3.7343 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 -1.9244 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 2.4128 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -1.6286 1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 1.7263 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 -3.7478 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -0.4201 0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7536 3.7681 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 4.5279 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8214 3.7114 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 1 31 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 M END > DB09021 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GNRXCIONJWKSEA-UHFFFAOYSA-N/SDF?record_type=3d > CNCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 > InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3 > GNRXCIONJWKSEA-UHFFFAOYSA-N > C18H19N > 249.357 > 249.151749616 > 1 > 38 > 29.31075818882264 > 1 > 1 > 0 > 1 > methyl({tetracyclo[6.6.2.0²,⁷.0⁹,¹⁴]hexadeca-2,4,6,9,11,13-hexaen-1-yl}methyl)amine > 4.16 > 3.638874904333332 > -5.47 > 0 > 4 > 1 > 10.042085746245384 > 12.03 > 89.9457 > 2 > 1 > 8.44e-04 g/l > benzoctamine > 1 $$$$