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Substance Name: (1,2,4-Triazol-4-yl) itraconazole
RN: 854372-77-3
UNII: ZQ7AHN9PCK
InChIKey: VRJGLVXBWFZNCZ-AVQIMAJZSA-N

Molecular Formula

  • C35-H38-Cl2-N8-O4

Molecular Weight

  • 705.6432
 
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Names and Synonyms

Name of Substance

  • (1,2,4-Triazol-4-yl) itraconazole

Synonyms

  • (+/-)-(1,2,4-Triazol-4-yl) itraconazole
  • (1,2,4-Triazol-4-yl) itraconazole
  • 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
  • Itraconazole impurity, 4-triazolyl isomer- [USP]
  • Itraconazole specified impurity B [EP]
  • UNII-ZQ7AHN9PCK

Registry Numbers

CAS Registry Number

  • 854372-77-3

FDA UNII

  • ZQ7AHN9PCK

System Generated Number

  • 0854372773

Structure Descriptors

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-/m1/s1

InChIKey

VRJGLVXBWFZNCZ-AVQIMAJZSA-N

Smiles

CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CO[C@@](O5)(Cn6cnnc6)c7ccc(cc7Cl)Cl