14052 -OEChem-02162112473D 38 37 0 1 0 0 0 0 0999 V2000 5.4428 0.6296 -0.1501 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4415 0.6286 0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 0.5226 -0.5436 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 0.5225 0.5384 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 0.5160 0.1832 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0498 0.5165 -0.1814 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6581 0.5290 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 0.5341 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1645 -0.7227 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -0.7210 -1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 0.5669 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 0.5653 0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -2.0440 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 -2.0434 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 1.4072 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1242 1.4078 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 1.4083 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 -0.3654 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 -0.3549 -1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 1.4195 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7339 1.3427 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 1.3390 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 -0.6853 1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 -0.7161 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4244 -0.7132 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 -0.6833 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 1.4623 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2107 -0.2967 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1157 1.4597 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 -0.2993 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 -2.1465 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -2.8749 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 -2.1688 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1764 -2.1468 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 -2.8733 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9508 -2.1693 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4324 1.4256 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 1.4257 -0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 37 1 0 0 0 0 2 12 1 0 0 0 0 2 38 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 M END > DB00330 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AEUTYOVWOVBAKS-UWVGGRQHSA-N/SDF?record_type=3d > CC[C@@H](CO)NCCN[C@@H](CC)CO > InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 > AEUTYOVWOVBAKS-UWVGGRQHSA-N > C10H24N2O2 > 204.3098 > 204.183778022 > 4 > 38 > 1.3116712514179008 > 24.46924534542036 > 1 > 4 > 0 > 1 > (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol > -0.059291071333333153 > 0 > 1 > 0 > 1 > 15.421967964187898 > 14.819909118674012 > 9.551704261347783 > 64.52 > 57.888000000000005 > 9 > 1 > disodium dexamethasone phosphate(2-) > 0 $$$$