77074 -OEChem-01171816143D 71 73 0 0 0 0 0 0 0999 V2000 0.5842 1.1977 -2.5019 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 5.2944 0.4475 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 3.5774 2.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 1.7103 -2.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 -0.2449 -2.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 1.8159 -3.4447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 5.0289 1.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 6.0636 1.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 5.7804 -0.9179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 -4.5151 0.1972 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6446 -0.9076 0.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -0.1191 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 1.2230 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -1.2015 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 -0.3262 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9053 1.8787 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 -3.4805 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -0.7104 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 1.7734 1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -1.0465 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 -2.5358 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -0.4361 1.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -0.4015 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 3.1372 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 -2.1131 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9453 -3.6287 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5667 -0.6306 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 -0.5958 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 3.7138 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 -4.3910 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -5.8906 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3615 -0.9924 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3788 -1.0417 1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 3.0319 1.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1757 -4.3552 -1.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 -6.3814 1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6233 0.3977 -1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8237 0.3215 1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 1.2421 2.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -0.0758 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 -2.7049 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -0.3716 2.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 -0.3854 -1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 3.6679 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -1.9258 0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -4.5891 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0503 -0.6914 2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -0.6635 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -5.2828 0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 -3.5520 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 -6.5308 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7193 -5.9539 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8537 -1.6301 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3332 -1.4797 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2811 -1.6443 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8397 -1.6009 2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8846 -5.2504 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7993 -3.4844 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 -4.3033 -1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 -6.3764 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7336 -5.7678 2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -7.4098 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1262 0.3248 -2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7094 0.9805 -1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2773 0.9738 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 0.2226 2.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5418 0.7831 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9821 1.0108 2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 2.9606 3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 2.6881 -2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 4.4539 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 29 1 0 0 0 0 3 34 1 0 0 0 0 3 69 1 0 0 0 0 4 70 1 0 0 0 0 7 71 1 0 0 0 0 10 17 2 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 18 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 24 2 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 34 1 0 0 0 0 19 39 1 0 0 0 0 20 25 2 0 0 0 0 20 40 1 0 0 0 0 21 26 2 0 0 0 0 21 41 1 0 0 0 0 22 27 1 0 0 0 0 22 42 1 0 0 0 0 23 28 2 0 0 0 0 23 43 1 0 0 0 0 24 29 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 34 2 0 0 0 0 30 35 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 36 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 37 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 38 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 M CHG 1 10 1 M END > DB13967 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DHAHKSQXIXFZJB-UHFFFAOYSA-O/SDF?record_type=3d > CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C(O)=C1)S(O)(=O)=O)S(O)(=O)=O > InChI=1S/C27H32N2O7S2/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36)/p+1 > DHAHKSQXIXFZJB-UHFFFAOYSA-O > C27H33N2O7S2 > 561.69 > 561.172370179 > 8 > 71 > 59.13714921247673 > 1 > 3 > 1 > 0 > 4-{[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium > -0.50 > 2.3966972853127957 > -5.35 > 1 > 3 > -1 > -1.8866357922762171 > -2.611945946810776 > 5.329348134846425 > 135.22 > 173.79560000000006 > 9 > 0 > 2.68e-03 g/l > patent blue V > 0 $$$$