449402 -OEChem-02022013063D 38 39 0 1 0 0 0 0 0999 V2000 -4.8530 -1.2852 0.4675 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7794 1.0676 1.8359 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 -1.8418 0.0860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 0.3181 1.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 0.9612 -0.4419 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 -0.3274 -0.1125 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2139 0.5338 -0.8785 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6124 -0.0234 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 -1.6843 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 0.3381 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 0.0521 -2.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 -2.6558 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9267 1.6957 -0.1037 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1313 0.8172 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 2.8811 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2381 -0.2663 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 1.0786 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -1.0885 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2762 0.2565 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -0.8272 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 1.5968 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2096 -1.6118 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 -2.1536 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 -0.9702 -2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6991 0.7028 -2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 0.1310 -2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -2.3484 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 -2.7338 1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3883 -3.6537 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 0.8726 -1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 2.1091 0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 2.5388 -2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 3.5160 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 3.4977 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -0.4870 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 1.9206 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 -1.9277 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 0.4725 1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 1 0 0 0 0 3 20 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 M END > DB02946 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RXDMAYSSBPYBFW-RULNRJAQSA-N/SDF?record_type=3d > CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)C1=CC=C(Cl)C=C1 > InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1 > RXDMAYSSBPYBFW-RULNRJAQSA-N > C15H18Cl3NO > 334.669 > 333.045397324 > 2 > 38 > 0.0008306565865110471 > 33.35191827562821 > 1 > 1 > 0 > 0 > (1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboximidic acid > 4.70 > 5.7561069179999995 > -5.74 > 0 > 0 > 2 > 0 > 4.2179139091195195 > 2.148281900348461 > 32.59 > 84.8065 > 4 > 0 > 6.05e-04 g/l > (2R)-2-(aminomethyl)-1-(carboxymethyl)-2,5-dihydroxy-4-oxo-3H-imidazol-1-ium > 1 $$$$