Marvin 02271213212D 31 34 0 0 1 0 999 V2000 5.6672 -5.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6672 -6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 -5.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 -6.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 -5.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 -6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -5.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1272 -5.4677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3972 -6.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1272 -6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -5.0451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5489 -5.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2789 -5.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0089 -5.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7389 -5.0451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4305 -5.4677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4305 -6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1605 -5.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8905 -5.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1605 -6.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8905 -6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6205 -5.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3122 -5.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6205 -6.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3122 -6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 -6.6972 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.0422 -6.6972 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7389 -4.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -4.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1243 -4.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4334 -4.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 4 2 2 0 0 0 0 9 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 26 6 1 0 0 0 0 8 7 1 0 0 0 0 8 11 1 0 0 0 0 10 8 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 11 29 1 6 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 15 28 1 1 0 0 0 16 18 1 0 0 0 0 17 16 1 0 0 0 0 20 17 1 0 0 0 0 19 18 1 0 0 0 0 22 19 1 0 0 0 0 21 19 2 0 0 0 0 21 20 1 0 0 0 0 24 21 1 0 0 0 0 23 22 2 0 0 0 0 25 23 1 0 0 0 0 25 24 2 0 0 0 0 27 25 1 0 0 0 0 8 30 1 1 0 0 0 16 31 1 1 0 0 0 M END > CHEBI:64021 > (S,R,R,R)-nebivolol > A 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1R,1'R,2R,2'S)-configuration. > 3 > d-nebivolol; [2S,alphaR,2'R,alpha'R]-alpha,alpha'-[imino-bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]; (S,R,R,R)-nebivolol; (S,R,R,R)-alpha,alpha'-[iminobis(methylene)]bis(6-fluoro-3H,4H-dihydro-2H-1-benzopyran-2-methanol); (1R,1'R)-2,2'-iminobis{1-[(2R,2'S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol}; (+)-RRRS-nebivolol; (+)-(S,R,R,R)-nebivolol > C22H25F2NO4 > 405.43500 > 405.17516 > 0 > [H][C@@]1(CCc2cc(F)ccc2O1)[C@H](O)CNC[C@@H](O)[C@]1([H])CCc2cc(F)ccc2O1 > 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+/m1/s1 > KOHIRBRYDXPAMZ-YHBROIRLSA-N > 4789057 $$$$