Mrv1652312081619482D 76 83 0 0 1 0 999 V2000 -2.9775 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6591 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -1.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -1.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 -1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5462 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1457 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 -2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 -2.9026 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2048 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -0.0702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1755 0.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0005 0.5132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0005 1.3382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1755 1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 1.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 1.5931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2700 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 0.2582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 2.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 2.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 -0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6644 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9293 -1.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 -1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3994 -1.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0913 -1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8264 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1777 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 -2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7507 -2.9026 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1187 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9051 0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9155 -0.0702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4989 0.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3239 0.5132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3239 1.3382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4989 1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9155 1.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1085 1.5931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5935 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1085 0.2582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3122 1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3122 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3635 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8114 2.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1704 2.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -4.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -4.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -4.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -5.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -6.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -5.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -6.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -5.7901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -6.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -5.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -6.2026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -5.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -6.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -5.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -6.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -7.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -7.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -7.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 3 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 18 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 22 27 1 1 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 31 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 32 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 46 45 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 6 0 0 0 48 49 1 0 0 0 0 46 49 1 0 0 0 0 49 50 2 0 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 47 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 51 56 1 1 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 59 64 1 0 0 0 0 62 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 71 76 1 0 0 0 0 M END > DBSALT001648 > drugbank > C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=CC=CC=C1Cl.CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=CC=CC=C1Cl > InChI=1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1 > COCFKSXGORCFOW-VZHMHXRYSA-N > C54H56Cl2N8O10S2 > 1112.11 > 1110.2937878 > 5 > 132 > 40.54967457548691 > 0 > 2 > 0 > 0 > bis((2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid); benzyl[2-(benzylamino)ethyl]amine > 2.61 > 2.301739658333334 > -3.91 > 1 > 10 > -1 > 13.646550253028192 > 3.749784586466144 > -0.4127229030116796 > 112.74 > 106.63709999999999 > 15 > 0 > 5.32e-02 g/l > benzathine; bis(cloxacillin) > 0 > DBSALT001648 > Cloxacillin benzathine > DB01147 > Cloxacillin > 23736-58-5 > AC79L7PV2G $$$$