Deacetylketoconazole

CAS Registry Number®

67914-61-8
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CAS Name

Deacetylketoconazole

Molecular Formula

C24H26Cl2N4O3

Molecular Mass

489.39

Cite this Page

Deacetylketoconazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67914-61-8 (retrieved 2024-04-30) (CAS RN: 67914-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/s2

InChIKey

InChIKey=LOUXSEJZCPKWAX-DCJNBRHWNA-N

SMILES

C([C@]1(O[C@@H](COC2=CC=C(C=C2)N3CCNCC3)CO1)C4=C(Cl)C=C(Cl)C=C4)N5C=CN=C5

Canonical SMILES

ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)COC3=CC=C(C=C3)N4CCNCC4)CN5C=NC=C5

Other Names for this Substance

  • Piperazine, 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-
  • Piperazine, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, cis-
  • rel-1-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
  • Deacylketoconazole
  • R 39519

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Deleted or Replaced CAS Registry Numbers

75052-06-1, 581806-67-9

CAS INSIGHTSTM
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