Mrv1572004221607072D 90 92 0 0 1 0 999 V2000 -0.5531 -2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 -1.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 2.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1642 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 2.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -1.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8286 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 1.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8588 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0081 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1144 1.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 2.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -0.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 -1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9024 -0.8454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3314 -0.8454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7603 -0.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3272 0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3672 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 2.5958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 -0.9952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.4329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9024 -1.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 -1.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 -1.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4748 -0.4329 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8521 0.4259 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.6861 -2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2883 -1.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0983 2.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -1.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 2.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9188 2.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 -1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4105 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9489 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2543 1.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3804 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2310 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3535 1.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9227 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9666 2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4271 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7126 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8561 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2850 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0730 -1.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7694 1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7512 2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7159 -1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1416 -0.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5705 -0.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9995 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1050 0.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 -0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2445 -0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9119 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8720 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3643 2.5953 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5364 -0.9957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9982 -0.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1416 -1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5705 -1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7139 -0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9995 -1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3871 0.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1893 -0.0204 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 21.0711 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -3.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9024 -0.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 -0.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1416 -0.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5705 -0.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 18 17 1 0 0 0 0 21 1 1 0 0 0 0 21 2 1 0 0 0 0 22 9 2 0 0 0 0 22 10 1 0 0 0 0 23 13 2 0 0 0 0 23 14 1 0 0 0 0 24 15 2 0 0 0 0 24 16 1 0 0 0 0 25 11 2 0 0 0 0 25 12 1 0 0 0 0 26 17 1 0 0 0 0 26 19 1 0 0 0 0 27 19 1 0 0 0 0 27 20 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 29 1 0 0 0 0 31 21 1 0 0 0 0 31 30 2 0 0 0 0 32 23 1 0 0 0 0 32 29 2 0 0 0 0 33 30 1 0 0 0 0 34 24 1 0 0 0 0 35 25 1 4 0 0 0 35 33 2 0 0 0 0 36 18 1 0 0 0 0 36 31 1 0 0 0 0 36 32 1 0 0 0 0 26 37 1 1 0 0 0 27 38 1 1 0 0 0 39 28 2 0 0 0 0 40 28 1 0 0 0 0 41 33 1 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 48 45 2 0 0 0 0 49 45 1 0 0 0 0 50 46 1 0 0 0 0 51 47 2 0 0 0 0 52 48 1 0 0 0 0 53 49 2 0 0 0 0 56 54 1 0 0 0 0 57 55 2 0 0 0 0 59 58 1 0 0 0 0 62 42 1 0 0 0 0 62 43 1 0 0 0 0 63 50 2 0 0 0 0 63 51 1 0 0 0 0 64 54 2 0 0 0 0 64 55 1 0 0 0 0 65 56 2 0 0 0 0 65 57 1 0 0 0 0 66 52 2 0 0 0 0 66 53 1 0 0 0 0 67 58 1 0 0 0 0 67 60 1 0 0 0 0 68 60 1 0 0 0 0 68 61 1 0 0 0 0 69 61 1 0 0 0 0 70 63 1 0 0 0 0 71 70 1 0 0 0 0 72 62 1 0 0 0 0 72 71 2 0 0 0 0 73 64 1 0 0 0 0 73 70 2 0 0 0 0 74 71 1 0 0 0 0 75 65 1 0 0 0 0 76 66 1 4 0 0 0 76 74 2 0 0 0 0 77 59 1 0 0 0 0 77 72 1 0 0 0 0 77 73 1 0 0 0 0 67 78 1 1 0 0 0 68 79 1 1 0 0 0 80 69 2 0 0 0 0 81 69 1 0 0 0 0 82 74 1 0 0 0 0 26 87 1 1 0 0 0 27 88 1 1 0 0 0 67 89 1 1 0 0 0 68 90 1 1 0 0 0 M CHG 3 40 -1 41 -1 83 2 M END > DBSALT001499 > drugbank > O.O.O.[Ca++].[H][C@@](O)(CCN1C(C(C)C)=C(C(O)=NC2=CC=CC=C2)C(=C1C1=CC=C(F)C=C1)C1=CC=CC=C1)C[C@@]([H])(O)CC(O)=O.[H][C@@](O)(CCN1C(C(C)C)=C(C([O-])=NC2=CC=CC=C2)C(=C1C1=CC=C(F)C=C1)C1=CC=CC=C1)C[C@@]([H])(O)CC([O-])=O > InChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1 > SHZPNDRIDUBNMH-NIJVSVLQSA-L > C66H74CaF2N4O13 > 1209.408 > 1208.4846357 > 6 > 160 > 59.94879947517592 > 0 > 2 > 0 > 0 > calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenyl-C-hydroxycarbonimidoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarboximidato)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate trihydrate > 6.10 > 6.114603437333333 > -6.04 > 1 > 8 > -1 > 5.268743867500592 > 4.298845300054946 > 0.7555185068077277 > 120.94 > 180.3409 > 24 > 0 > 5.97e-04 g/l > calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenyl-C-hydroxycarbonimidoyl)pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarboximidato)pyrrol-1-yl]-3,5-dihydroxyheptanoate trihydrate > 0 > DBSALT001499 > Atorvastatin calcium trihydrate > DB01076 > Atorvastatin > 344423-98-9 > 48A5M73Z4Q $$$$