Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isopropyl itraconazole
RN: 89848-49-7
UNII: G401M43GWQ
InChIKey: YPJNBOZLRNFTJN-KAODMTDESA-N

Molecular Formula

  • C34-H36-Cl2-N8-O4

Molecular Weight

  • 691.6164
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isopropyl itraconazole

Synonyms

  • 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-methylethyl)-, cis-
  • 4-(4-(4-(4-(((2RS,4SR)-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-isopropyl-2H-1,2,4-triazol-3(4H)-one
  • 4-(4-(4-(4-((cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(1-methylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • Isopropyl itraconazole
  • Isopropyl itraconazole, (+/-)-
  • Itraconazole impurity, isopropyl analog- [USP]
  • Itraconazole specified impurity D [EP]
  • UNII-G401M43GWQ

Registry Numbers

CAS Registry Number

  • 89848-49-7

FDA UNII

  • G401M43GWQ

Other Registry Number

  • 86767-74-0

System Generated Number

  • 0089848497

Structure Descriptors

InChI

1S/C34H36Cl2N8O4/c1-24(2)44-33(45)43(23-39-44)28-6-4-26(5-7-28)40-13-15-41(16-14-40)27-8-10-29(11-9-27)46-18-30-19-47-34(48-30,20-42-22-37-21-38-42)31-12-3-25(35)17-32(31)36/h3-12,17,21-24,30H,13-16,18-20H2,1-2H3/t30-,34-/m1/s1

InChIKey

YPJNBOZLRNFTJN-KAODMTDESA-N

Smiles

CC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CO[C@@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl