3775 -OEChem-10051719393D 59 60 0 0 0 0 0 0 0999 V2000 -0.1974 0.6454 -2.6373 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 -0.2165 0.3701 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.5082 -2.3906 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 0.3276 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2031 0.5813 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1804 -1.6833 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5347 -0.4789 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 -0.1439 1.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -0.0661 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 2.0328 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 -0.0394 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 -2.5025 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -1.7633 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 -1.0000 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 1.3896 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -0.2413 -1.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2429 -0.8166 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 1.8899 1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6614 -1.9401 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 2.0761 -0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2588 -1.6526 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2655 3.1955 1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 -2.7761 1.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3903 3.3817 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9759 -2.6323 1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 3.9414 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8525 0.3680 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 1.3534 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2652 0.5612 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0901 -2.0631 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -0.4750 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 -1.4405 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 -0.6694 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7664 -0.6093 2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 0.8923 2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8853 2.6002 -0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 2.5278 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 2.2087 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 0.5744 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 -0.0275 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6955 -1.0323 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5362 -3.4254 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3922 -2.9798 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 -2.2639 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4074 -2.8167 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 -1.4601 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 -1.2464 -1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4923 -0.0929 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 1.3368 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 -2.1164 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3357 1.6746 -1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 -2.2858 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 -1.7171 -3.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2685 -1.5465 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 3.6296 2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4587 -3.5393 2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 3.9618 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 -3.2844 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 4.9572 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 16 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 4 7 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 19 23 2 0 0 0 0 19 50 1 0 0 0 0 20 24 2 0 0 0 0 20 51 1 0 0 0 0 21 25 2 0 0 0 0 21 54 1 0 0 0 0 22 26 2 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 M CHG 1 2 1 M END > DB01625 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JTPUMZTWMWIVPA-UHFFFAOYSA-O/SDF?record_type=3d > CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C > InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1 > JTPUMZTWMWIVPA-UHFFFAOYSA-O > C23H33N2O > 353.5209 > 353.259288688 > 1 > 59 > 0.9999999995617823 > 41.27910866295459 > 1 > 1 > 1 > 1 > (3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium > 2.27 > 0.13792196952825317 > -6.96 > 0 > 1 > 2 > 1 > 16.31484423473715 > -3.336031877848175 > 43.09 > 120.74270000000003 > 8 > 1 > 4.24e-05 g/l > biotin > 0 $$$$