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Substance Name: Hydroxyitraconazole
RN: 112559-91-8
InChIKey: ISJVOEOJQLKSJU-UHFFFAOYSA-N

Notes

  • A hydroxylated metabolite of itraconazole; likely contributes importantly to the in vivo activity attributed to itraconazole
  • A hydroxylated metabolite of itraconazole; likely contributes importantly to the in vivo activity attributed to itraconazole.

Molecular Formula

  • C35-H38-Cl2-N8-O5

Molecular Weight

  • 721.642
 

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
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Names and Synonyms

Name of Substance

  • Hydroxyitraconazole

Synonyms

  • Hydroxyitraconazole
  • R 63373

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-((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)-, monohydroxy deriv.

Registry Numbers

CAS Registry Number

  • 112559-91-8

Other Registry Number

  • 148626-66-8

System Generated Number

  • 0112559918

Structure Descriptors

InChI

1S/C35H38Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-25,31,46H,13-16,18-20H2,1-2H3

InChIKey

ISJVOEOJQLKSJU-UHFFFAOYSA-N

Smiles

n1n(c(n(c1)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1O[C@@](OC1)(Cn1ncnc1)c1c(cc(cc1)Cl)Cl)=O)[C@@H]([C@@H](C)O)C