24832019 -OEChem-10051721243D 37 39 0 0 0 0 0 0 0999 V2000 -1.2027 -1.6305 0.0058 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -0.8635 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 0.8769 -0.0032 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3069 -0.0839 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 -0.1592 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 0.5669 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 -0.8024 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 -0.1387 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 2.2386 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5464 1.4807 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 -0.1019 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -0.1246 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 -0.1346 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 -1.3137 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -0.1062 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 -0.1161 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 0.9752 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0836 -0.3997 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0405 -0.0697 1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0411 -0.0935 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 2.3113 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 2.7570 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 2.7517 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3877 2.5544 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 -0.1263 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2756 -0.1440 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 -2.3835 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -0.0957 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 -0.1130 -2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6826 1.6750 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1234 -0.0517 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 -0.9676 1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.8229 1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -0.0813 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 0.7921 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8255 -0.9984 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9761 -0.1060 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 18 1 0 0 0 0 2 37 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 14 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 17 2 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M CHG 1 3 1 M END > DB08615 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NOVJJPLRUMZSDK-UHFFFAOYSA-O/SDF?record_type=3d > CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1 > InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1 > NOVJJPLRUMZSDK-UHFFFAOYSA-O > C16H17N2OS > 285.384 > 285.106158866 > 2 > 37 > 0.7726800175489004 > 32.32901779985001 > 1 > 1 > 1 > 0 > 2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium > -0.21 > -0.4459605124717455 > -5.13 > 0 > 1 > 3 > 1 > 7.530812010937205 > 3.370633759579067 > 27.35 > 94.10999999999999 > 2 > 1 > 2.40e-03 g/l > tetrahydrofolic acid > 1 $$$$