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Substance Name: trans-Itraconazole
RN: 252964-65-1
UNII: DQ63FB41CJ
InChIKey: VHVPQPYKVGDNFY-KKHGCVKGSA-N

Molecular Formula

  • C35-H38-Cl2-N8-O4

Molecular Weight

  • 705.6432
 
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Names and Synonyms

Results Name

  • trans-Itraconazole

Name of Substance

  • Itraconazole, trans-

Synonyms

  • 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-(1-methylpropyl)-, rel-
  • 4-(4-(4-(4-(((2RS,4RS)-2-((1H-1,2,4-Triazol-1-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
  • Itraconazole impurity, epimer- [USP]
  • Itraconazole specified impurity E [EP]
  • Itraconazole, trans-
  • Itraconazole, trans- (+/-)-
  • trans-Itraconazole
  • UNII-DQ63FB41CJ

Registry Numbers

CAS Registry Number

  • 252964-65-1

FDA UNII

  • DQ63FB41CJ

System Generated Number

  • 0252964651

Structure Descriptors

InChI

1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)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+/m1/s1

InChIKey

VHVPQPYKVGDNFY-KKHGCVKGSA-N

Smiles

CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4