Mrv1572004201618402D 141152 0 0 0 0 999 V2000 -11.3026 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5882 -0.7474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5882 -1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8737 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1592 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4448 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7303 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0158 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3013 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3013 -1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0158 -1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7303 -1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5869 -1.9849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.4448 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1592 0.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1592 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4448 2.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7303 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7303 0.9025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 5.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9867 5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9867 5.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 7.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 6.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 3.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 5.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 3.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 3.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 5.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 5.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 2.2687 0.0000 O 0 0 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0 0 0 0 9.8737 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5882 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5882 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8737 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1592 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8737 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3026 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3026 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 3.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -3.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1592 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8737 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8737 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1592 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5882 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5882 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1592 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 -0.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -3.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 -3.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -5.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -5.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 -6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 -5.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 -7.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 -6.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -3.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -3.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -3.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -5.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -5.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 -6.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -7.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -6.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 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 10 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 23 28 1 0 0 0 0 21 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 34 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 44 49 1 0 0 0 0 48 50 1 1 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 53 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 62 67 1 0 0 0 0 66 68 1 0 0 0 0 65 69 1 0 0 0 0 64 70 1 0 0 0 0 56 71 1 0 0 0 0 55 72 1 0 0 0 0 47 73 1 6 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 76 77 2 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 76 81 1 0 0 0 0 80 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 83 85 1 0 0 0 0 85 86 2 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 85 90 1 0 0 0 0 89 91 1 0 0 0 0 88 92 1 0 0 0 0 87 93 1 0 0 0 0 79 94 1 0 0 0 0 78 95 1 0 0 0 0 46 96 1 1 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 97 99 1 0 0 0 0 99100 2 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 102103 1 0 0 0 0 103104 2 0 0 0 0 99104 1 0 0 0 0 103105 1 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 106108 1 0 0 0 0 108109 2 0 0 0 0 109110 1 0 0 0 0 110111 2 0 0 0 0 111112 1 0 0 0 0 112113 2 0 0 0 0 108113 1 0 0 0 0 112114 1 0 0 0 0 111115 1 0 0 0 0 110116 1 0 0 0 0 102117 1 0 0 0 0 101118 1 0 0 0 0 45119 1 6 0 0 0 119120 1 0 0 0 0 120121 2 0 0 0 0 120122 1 0 0 0 0 122123 2 0 0 0 0 123124 1 0 0 0 0 124125 2 0 0 0 0 125126 1 0 0 0 0 126127 2 0 0 0 0 122127 1 0 0 0 0 126128 1 0 0 0 0 128129 1 0 0 0 0 129130 2 0 0 0 0 129131 1 0 0 0 0 131132 2 0 0 0 0 132133 1 0 0 0 0 133134 2 0 0 0 0 134135 1 0 0 0 0 135136 2 0 0 0 0 131136 1 0 0 0 0 135137 1 0 0 0 0 134138 1 0 0 0 0 133139 1 0 0 0 0 125140 1 0 0 0 0 124141 1 0 0 0 0 M END > DBSALT001556 > drugbank > CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1.OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 > InChI=1S/C76H52O46.C16H19ClN2/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h1-20,52,63-65,76-101H,21H2;3-9,11,15H,10,12H2,1-2H3/t52-,63-,64+,65-,76+;/m1./s1 > KOOFUFFGNZKXFG-HBNMXAOGSA-N > C92H71ClN2O46 > 1976.0 > 1974.2966505 > 36 > 212 > 155.96480972340103 > 0 > 25 > 0 > 0 > 2,3-dihydroxy-5-({[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl]methoxy}carbonyl)phenyl 3,4,5-trihydroxybenzoate; [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine > 4.73 > 13.512004047 > -3.62 > 1 > 13 > 0 > 8.059665938059188 > 7.605963885458599 > -4.773003704204116 > 777.9800000000005 > 393.5703999999998 > 36 > 0 > 4.07e-01 g/l > 2,3-dihydroxy-5-({[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl]methoxy}carbonyl)phenyl 3,4,5-trihydroxybenzoate; chlorpheniramine > 0 > DBSALT001556 > Chlorpheniramine tannate > DB01114 > Chlorpheniramine > 1405-56-7 > 72JT935YTT $$$$