trans-Ketoconazole

CAS Registry Number®

83374-59-8
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CAS Name

trans-Ketoconazole

Molecular Formula

C26H28Cl2N4O4

Molecular Mass

531.43

Cite this Page

trans-Ketoconazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=83374-59-8 (retrieved 2024-04-29) (CAS RN: 83374-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/s2

InChIKey

InChIKey=XMAYWYJOQHXEEK-NQJIZXJYNA-N

SMILES

C([C@]1(O[C@H](COC2=CC=C(C=C2)N3CCN(C(C)=O)CC3)CO1)C4=C(Cl)C=C(Cl)C=C4)N5C=CN=C5

Canonical SMILES

O=C(N1CCN(C2=CC=C(OCC3OC(OC3)(C4=CC=C(Cl)C=C4Cl)CN5C=NC=C5)C=C2)CC1)C

Other Names for this Substance

  • Piperazine, 1-acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-
  • Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, trans-
  • rel-1-Acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
  • RS 36745
  • R 44319

View All

Deleted or Replaced CAS Registry Numbers

83255-48-5

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