Ketcher 07031515452D 1 1.00000 0.00000 0 51 57 0 1 0 999 V2000 15.8886 -17.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4401 -15.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4378 -15.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1139 -16.4120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9011 -17.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7177 -16.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0113 -18.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8931 -10.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8931 -11.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7455 -12.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -11.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -10.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7455 -10.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7455 -13.0378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8931 -13.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8931 -14.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7454 -15.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6476 -14.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -13.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7454 -16.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8931 -16.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8931 -17.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7454 -18.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5976 -17.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5976 -16.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7506 -19.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6619 -19.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4657 -18.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 -19.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4121 -17.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4686 -17.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 -9.0276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5447 -8.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2199 -7.4633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2077 -7.4758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9066 -8.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7101 -6.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7124 -6.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2170 -7.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2153 -5.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2056 -5.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2206 -5.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5073 -8.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8837 -18.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8908 -19.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7632 -20.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6284 -19.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6213 -18.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7489 -18.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5008 -20.2958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.0255 -20.3206 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 2 6 2 0 0 0 1 5 1 0 0 0 7 1 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 8 13 2 0 0 0 10 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 14 19 1 0 0 0 17 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 20 25 1 0 0 0 23 26 1 0 0 0 26 27 1 0 0 0 28 27 1 6 0 0 28 29 1 0 0 0 29 7 1 0 0 0 7 30 1 0 0 0 30 31 1 0 0 0 28 31 1 0 0 0 13 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 32 36 1 0 0 0 34 37 1 0 0 0 37 38 1 0 0 0 38 39 1 6 0 0 37 40 1 1 0 0 40 41 1 0 0 0 38 42 1 0 0 0 33 43 2 0 0 0 7 44 1 1 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 48 49 2 0 0 0 44 49 1 0 0 0 47 50 1 0 0 0 45 51 1 0 0 0 M END > CHEBI:64355 > posaconazole > An N-arylpiperazine that consists of piperazine carrying two 4-substituted phenyl groups at positions 1 and 4. A triazole antifungal drug. > 3 > Schering 56592; SCH56592; Sch 56592; posaconazole > 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol > posaconazole > Noxafil > C37H42F2N8O4 > 700.77740 > 700.32971 > 0 > CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O > InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1 > RAGOYPUPXAKGKH-XAKZXMRKSA-N > 171228-49-2 > 8379448 > 171228-49-2 > DB01263 > D02555 > Posaconazole > 21762211; 21967490; 22058198; 22176629; 22215361; 22215487; 22286158; 22290952; 22303909; 22324990; 22330929; 22380765; 22391464; 22391534; 22427614 $$$$