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Substance Name: Keto-itraconazole
RN: 112560-33-5
UNII: R12K4F9DN6
InChIKey: GZEZATDDANETAV-CEAPFGRNSA-N

Molecular Formula

  • C35-H36-Cl2-N8-O5

Molecular Weight

  • 719.6264
 
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Names and Synonyms

Name of Substance

  • Keto-itraconazole

Synonyms

  • 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-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-methyl-2-oxopropyl)-, rel-
  • 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-methyl-2-oxopropyl)-, (2alpha,4alpha)-(+/-)-
  • Keto itraconazole
  • Keto-itraconazole
  • UNII-R12K4F9DN6

Registry Numbers

CAS Registry Number

  • 112560-33-5

FDA UNII

  • R12K4F9DN6

System Generated Number

  • 0112560335

Structure Descriptors

InChI

1S/C35H36Cl2N8O5/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/h3-12,17,21-24,31H,13-16,18-20H2,1-2H3/t24?,31-,35-/m1/s1

InChIKey

GZEZATDDANETAV-CEAPFGRNSA-N

Smiles

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