Mrv0541 08261312282D 176176 0 0 1 0 999 V2000 -0.2862 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2572 5.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 2.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6636 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2251 -5.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0595 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 -0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9382 4.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 2.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -2.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9061 -4.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5213 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6517 3.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 -2.9581 -4.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7866 -4.9787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 4.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 4.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4586 2.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1693 0.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9859 -1.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 -3.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0619 -4.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -5.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 25 17 1 6 0 0 0 26 18 1 6 0 0 0 27 19 1 1 0 0 0 28 20 1 6 0 0 0 29 21 1 6 0 0 0 30 22 1 1 0 0 0 31 23 1 6 0 0 0 32 24 1 6 0 0 0 33 1 1 0 0 0 0 34 2 1 0 0 0 0 35 3 1 0 0 0 0 36 4 1 0 0 0 0 37 5 1 0 0 0 0 38 6 1 0 0 0 0 39 7 1 0 0 0 0 40 8 1 0 0 0 0 49 41 1 0 0 0 0 50 42 1 0 0 0 0 51 43 1 0 0 0 0 52 44 1 0 0 0 0 53 45 1 0 0 0 0 54 46 1 0 0 0 0 55 47 1 0 0 0 0 56 48 1 0 0 0 0 57 25 1 0 0 0 0 57 41 1 0 0 0 0 58 26 1 0 0 0 0 58 43 1 0 0 0 0 59 27 1 0 0 0 0 59 42 1 0 0 0 0 60 28 1 0 0 0 0 60 45 1 0 0 0 0 61 29 1 0 0 0 0 61 44 1 0 0 0 0 62 30 1 0 0 0 0 62 47 1 0 0 0 0 63 31 1 0 0 0 0 63 46 1 0 0 0 0 64 32 1 0 0 0 0 64 48 1 0 0 0 0 65 49 1 0 0 0 0 66 50 1 0 0 0 0 67 51 1 0 0 0 0 68 52 1 0 0 0 0 69 53 1 0 0 0 0 70 54 1 0 0 0 0 71 55 1 0 0 0 0 72 56 1 0 0 0 0 73 33 2 0 0 0 0 74 33 1 0 0 0 0 75 34 2 0 0 0 0 76 34 1 0 0 0 0 77 35 2 0 0 0 0 78 35 1 0 0 0 0 79 36 2 0 0 0 0 80 36 1 0 0 0 0 81 37 2 0 0 0 0 82 37 1 0 0 0 0 83 38 2 0 0 0 0 84 38 1 0 0 0 0 85 39 2 0 0 0 0 86 39 1 0 0 0 0 87 40 2 0 0 0 0 88 40 1 0 0 0 0 41 89 1 6 0 0 0 42 90 1 1 0 0 0 43 91 1 6 0 0 0 44 92 1 6 0 0 0 45 93 1 6 0 0 0 46 94 1 6 0 0 0 47 95 1 1 0 0 0 48 96 1 6 0 0 0 49 97 1 1 0 0 0 50 98 1 6 0 0 0 51 99 1 1 0 0 0 52100 1 1 0 0 0 53101 1 1 0 0 0 54102 1 1 0 0 0 55103 1 1 0 0 0 56104 1 1 0 0 0 105 25 1 0 0 0 0 105 65 1 0 0 0 0 106 27 1 0 0 0 0 106 66 1 0 0 0 0 107 26 1 0 0 0 0 107 67 1 0 0 0 0 108 29 1 0 0 0 0 108 68 1 0 0 0 0 109 28 1 0 0 0 0 109 69 1 0 0 0 0 110 31 1 0 0 0 0 110 70 1 0 0 0 0 111 30 1 0 0 0 0 111 71 1 0 0 0 0 112 32 1 0 0 0 0 112 72 1 0 0 0 0 113 57 1 0 0 0 0 113 66 1 0 0 0 0 114 58 1 0 0 0 0 114 65 1 0 0 0 0 115 59 1 0 0 0 0 115 68 1 0 0 0 0 116 60 1 0 0 0 0 116 67 1 0 0 0 0 117 61 1 0 0 0 0 117 70 1 0 0 0 0 118 62 1 0 0 0 0 118 69 1 0 0 0 0 119 63 1 0 0 0 0 119 72 1 0 0 0 0 120 64 1 0 0 0 0 120 71 1 0 0 0 0 121 9 1 0 0 0 0 121 17 1 0 0 0 0 122 10 1 0 0 0 0 122 18 1 0 0 0 0 123 11 1 0 0 0 0 123 19 1 0 0 0 0 124 12 1 0 0 0 0 124 20 1 0 0 0 0 125 13 1 0 0 0 0 125 21 1 0 0 0 0 126 14 1 0 0 0 0 126 22 1 0 0 0 0 127 15 1 0 0 0 0 127 23 1 0 0 0 0 128 16 1 0 0 0 0 128 24 1 0 0 0 0 25137 1 1 0 0 0 26138 1 1 0 0 0 27139 1 6 0 0 0 28140 1 1 0 0 0 29141 1 1 0 0 0 30142 1 6 0 0 0 31143 1 1 0 0 0 32144 1 1 0 0 0 41145 1 1 0 0 0 42146 1 6 0 0 0 43147 1 1 0 0 0 44148 1 1 0 0 0 45149 1 1 0 0 0 46150 1 1 0 0 0 47151 1 6 0 0 0 48152 1 1 0 0 0 49153 1 6 0 0 0 50154 1 1 0 0 0 51155 1 6 0 0 0 52156 1 6 0 0 0 53157 1 6 0 0 0 54158 1 6 0 0 0 55159 1 1 0 0 0 56160 1 6 0 0 0 57161 1 6 0 0 0 58162 1 6 0 0 0 59163 1 1 0 0 0 60164 1 6 0 0 0 61165 1 6 0 0 0 62166 1 1 0 0 0 63167 1 6 0 0 0 64168 1 6 0 0 0 65169 1 6 0 0 0 66170 1 1 0 0 0 67171 1 6 0 0 0 68172 1 6 0 0 0 69173 1 6 0 0 0 70174 1 6 0 0 0 71175 1 1 0 0 0 72176 1 6 0 0 0 M CHG 8 74 -1 76 -1 78 -1 80 -1 82 -1 84 -1 86 -1 88 -1 M CHG 8 129 1 130 1 131 1 132 1 133 1 134 1 135 1 136 1 M END > DBSALT000556 > drugbank > [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(CSCCC([O-])=O)O[C@]2([H])O[C@]3([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]4([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]5([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]6([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]7([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]8([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]9([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]9([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O > InChI=1S/C72H112O48S8.8Na/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90;;;;;;;;/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88);;;;;;;;/q;8*+1/p-8 > KMGKABOMYQLLDJ-UHFFFAOYSA-F > C72H104Na8O48S8 > 2178.006 > 2176.264428104 > 48 > 240 > -7.996691535756571 > 185.90237372107143 > 0 > 16 > 0 > 0 > octasodium 3-({[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-10,15,20,25,30,35,40-heptakis({[(2-carboxylatoethyl)sulfanyl]methyl})-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}.2^{33,36}]hexapentacontan-5-yl]methyl}sulfanyl)propanoate > 0.85 > -5.417171354666672 > -1.84 > 1 > -8 > 9 > -8 > 3.175715502325704 > 2.8166935596840363 > 792.4000000000005 > 519.3375999999995 > 40 > 0 > 3.15e+01 g/l > biotin > 0 > DBSALT000556 > Sugammadex sodium > DB06206 > Sugammadex > 343306-79-6 > ERJ6X2MXV7 $$$$