71750969 -OEChem-03292408482D 54 57 0 1 0 0 0 0 0999 V2000 15.9885 1.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.1377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3961 0.1377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7263 -0.3623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2622 -0.3623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5923 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1323 0.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3803 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1703 0.6746 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 9.5502 -0.3993 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 8.4382 -0.3993 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.8182 0.6746 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 12.8569 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6601 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 10 5 1 1 0 0 0 5 47 1 0 0 0 0 11 6 1 6 0 0 0 6 48 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 46 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 1 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 1 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 28 2 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M ISO 4 38 2 39 2 40 2 41 2 M END > 71750969 > 1 > 483 > 7 > 3 > 6 > AAADceB6OYAAAAAAAAAAAAAAAAAAAAAAAAA0aIEAAAAAAACRQAAAHwAQCAAADBThmA4wBoLABgCAAiBCAAACCAAgIAAIiIAOCIgPNiKEsRqGeCCm0BGbqAeQwPAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > (1S)-2,2-dideuterio-2-[[(2S)-1,1-dideuterio-2-[(2R)-6-fluorochroman-2-yl]-2-hydroxy-ethyl]amino]-1-[(2S)-6-fluorochroman-2-yl]ethanol > (1S)-2,2-dideuterio-2-[[(2S)-1,1-dideuterio-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino]-1-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]ethanol > (1S)-2,2-dideuterio-2-[[(2S)-1,1-dideuterio-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol > (1S)-2,2-dideuterio-2-[[(2S)-1,1-dideuterio-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol > (1S)-2,2-dideuterio-2-[[(2S)-1,1-dideuterio-2-[(2R)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-oxidanyl-ethyl]amino]-1-[(2S)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]ethanol > (1S)-2,2-dideuterio-2-[[(2S)-1,1-dideuterio-2-[(2R)-6-fluorochroman-2-yl]-2-hydroxy-ethyl]amino]-1-[(2S)-6-fluorochroman-2-yl]ethanol > InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/t17-,18-,21-,22+/m0/s1/i11D2,12D2 > KOHIRBRYDXPAMZ-IIDLGYDESA-N > 3 > 409.20027159 > C22H25F2NO4 > 409.5 > C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O > [2H]C([2H])([C@@H]([C@H]1CCC2=C(O1)C=CC(=C2)F)O)NC([2H])([2H])[C@@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O > 71 > 409.20027159 > 0 > 29 > 4 > 0 > 0 > 0 > 4 > 1 > -1 > 1 5 255 > 18 20 8 18 22 8 19 21 8 19 23 8 20 24 8 21 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 28 8 27 29 8 10 5 5 11 6 6 8 30 5 9 31 5 $$$$