2369 -OEChem-12261816433D 51 52 0 1 0 0 0 0 0999 V2000 -3.7506 0.1789 0.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 1.6517 0.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9845 1.1348 1.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -1.8105 0.0938 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2498 -1.9439 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7819 -3.3515 0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -2.3405 1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 -1.0562 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8784 1.0607 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 2.3745 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 2.1832 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9843 0.1329 1.2209 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9597 -0.7769 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 -2.6258 -1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 0.8255 1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 2.2224 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 1.9654 0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9991 1.8269 0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -3.7258 -0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 -1.7565 -2.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 2.0436 -1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 1.7868 1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9737 -1.7423 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2022 -4.1194 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5411 -3.6881 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0231 -1.9969 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6779 -2.4303 2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4789 -0.8770 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9921 -1.5207 -1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 0.5914 -1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9385 1.2676 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2762 3.0652 -1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6305 2.8599 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -0.4431 2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9513 -1.2317 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 -0.1260 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8694 -3.1151 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 -2.3967 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 0.0618 1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7475 1.4735 2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 2.3890 -2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0008 1.9394 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8518 -3.3087 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8258 -4.3693 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 -4.3620 -0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -1.1548 -2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 -1.0903 -2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 -2.3854 -3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 2.0728 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3588 1.6521 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 0.6789 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 51 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 37 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 17 22 2 0 0 0 0 17 42 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 M END > DB00195 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NWIUTZDMDHAVTP-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1 > InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 > NWIUTZDMDHAVTP-UHFFFAOYSA-N > C18H29NO3 > 307.4278 > 307.214743799 > 4 > 51 > 37.052891255574565 > 1 > 2 > 0 > 1 > 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol > 3.00 > 2.539234387333333 > -4.01 > 0 > 2 > 1 > 14.087971415863102 > 9.666166605708497 > 50.72 > 88.63960000000003 > 11 > 1 > 2.98e-02 g/l > betaxolol > 0 $$$$