POSACONAZOLE

pro_cas
171228-49-2
pro_cdbregno
CCD00180516
pro_formula
C37 H42 F2 N8 O4
pro_molWeight
700.787

basic_info

Product_Name: POSACONAZOLE
CAS: 171228-49-2
EnglishSynonyms: D-THREO-PENTITOL, 2,5-ANHYDRO-1,3,4-TRIDEOXY-2-C-(2,4-DIFLUOROPHENYL)-4-[[4-[4-[4-[1-[(1S,2S)-1-ETHYL-2-HYDROXYPROPYL]-1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL]PHENYL]-1-PIPERAZINYL]PHENOXY]METHYL]-1-(1H-1,2,4-TRIAZOL-1-YL)- ; NOXAFIL ; 4-[4-[4-[4-[[(3R,5R)-5-(2,4-DIFLUOROPHENYL)-5-(1,2,4-TRIAZOL-1-YLMETHYL)OXOLAN-3-YL]METHOXY]PHENYL]PIPERAZIN-1-YL]PHENYL]-2-[(2S,3S)-2-HYDROXYPENTAN-3-YL]-1,2,4-TRIAZOL-3-ONE ; 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-1-((2S,3S)-2-HYDROXYPENTAN-3-YL)-1H-1,2,4-TRIAZOL-5(4H)-ONE ; POSACONAZOLE
pro_mdlNumber: MFCD00941162
pro_acceptors: 12
pro_donors: 1
pro_smile: CC[C@@H]([C@H](C)O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F
InChi: 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
InChiKey: InChIKey=RAGOYPUPXAKGKH-XAKZXMRKSA-N

property

Comments: LEGAL INFORMATION: VETRANAL IS A TRADEMARK OF SIGMA-ALDRICH CO LLC
Specification: VETRANAL(TM)

secure_info

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