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Substance Name: Butyl itraconazole
RN: 89848-51-1
UNII: 4FSK1699I2
InChIKey: MSRHZFCRISNCIN-CYEXUTLASA-N

Molecular Formula

  • C35-H38-Cl2-N8-O4

Molecular Weight

  • 705.6432
 
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Names and Synonyms

Name of Substance

  • Butyl itraconazole

Synonyms

  • 2-Butyl-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)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 3H-1,2,4-Triazol-3-one, 2-butyl-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-, 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-butyl-2H-1,2,4-triazol-3(4H)-one
  • Butyl itraconazole
  • Butyl itraconazole, (+/-)-
  • Itraconazole impurity F [EP]
  • Itraconazole impurity, N-butyl isomer- [USP]
  • UNII-4FSK1699I2

Registry Numbers

CAS Registry Number

  • 89848-51-1

FDA UNII

  • 4FSK1699I2

System Generated Number

  • 0089848511

Structure Descriptors

InChI

1S/C35H38Cl2N8O4/c1-2-3-14-45-34(46)44(25-40-45)29-7-5-27(6-8-29)41-15-17-42(18-16-41)28-9-11-30(12-10-28)47-20-31-21-48-35(49-31,22-43-24-38-23-39-43)32-13-4-26(36)19-33(32)37/h4-13,19,23-25,31H,2-3,14-18,20-22H2,1H3/t31-,35-/m1/s1

InChIKey

MSRHZFCRISNCIN-CYEXUTLASA-N

Smiles

CCCCn1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CO[C@@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl