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AG00G8BB

854372-77-3 | (1,2,4-Triazol-4-yl) Itraconazole

Chemical structure of (1,2,4-Triazol-4-yl) Itraconazole, CAS 854372-77-3
AG00G8BB
sdsSDS
sdsCOA
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CAS Number 854372-77-3
Catalog Number AG00G8BB(AGN-PC-0V0LD4)
Chemical Name (1,2,4-Triazol-4-yl) Itraconazole
IUPAC Name 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)42-14-16-43(17-15-42)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-41-22-38-39-23-41)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
InChI Key VRJGLVXBWFZNCZ-ZPGVKDDISA-N
MDL Number MFCD18382444
Molecular Formula C35H38Cl2N8O4
Molecular Weight 705.6334
SMILES CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cnnc6)(O5)c7ccc(Cl)cc7Cl)cc4
Synonyms
854372-77-3, (1,2,4-Triazol-4-yl) Itraconazole, Itraconazole Impurity B, 4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazole-4-ylmethyl)-1,3-dioxolane-4-yl]methoxy]phenyl]piperazino]phenyl]-2-(1-methylpropyl)-4H-1,2,4-triazole-3(2H)-one, rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, UNII-ZQ7AHN9PCK, Itraconazole EP Impurity B, (1,2,4-Triazol-4-yl)Itraconazole, CS-T-62239, Itraconazole specified impurity B [EP], (+/-)-(1,2,4-Triazol-4-yl) itraconazole, Itraconazole impurity, 4-triazolyl isomer- [USP], 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-(1-methylpropyl)-, rel-, 4-(4-(4-(4-(((2RS,4SR)-2-((4H-1,2,4-Triazol-4-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-sec-butyl-2H-1,2,4-triazol-3(4H)-one, 4-(4-(4-(4-((cis-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((1RS)-1-methylpropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one,

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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited