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Substance Name: 1-Acetyl-4-(4-(((2RS,4SR)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)-3-(4-(4-acetylpiperazin-1-yl)phenoxy)phenyl)piperazine
RN: 1346598-39-7
UNII: Q66P97422F
InChIKey: VMDQNVDMNGLNOT-VRLMBGIESA-N

Molecular Formula

  • C38-H42-Cl2-N6-O6

Molecular Weight

  • 749.6918
 
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Names and Synonyms

Name of Substance

  • 1-Acetyl-4-(4-(((2RS,4SR)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)-3-(4-(4-acetylpiperazin-1-yl)phenoxy)phenyl)piperazine

Synonyms

  • (+/-)-1-Acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)-3-(4-(4-acetylpiperazin-1-yl)phenoxy)phenyl)piperazine
  • 1-Acetyl-4-(4-(((2RS,4SR)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)-3-(4-(4-acetylpiperazin-1-yl)phenoxy)phenyl)piperazine
  • Ketoconazole impurity B [EP]
  • UNII-Q66P97422F

Registry Numbers

CAS Registry Number

  • 1346598-39-7

FDA UNII

  • Q66P97422F

System Generated Number

  • 1346598397

Structure Descriptors

InChI

1S/C38H42Cl2N6O6/c1-27(47)43-13-17-45(18-14-43)30-4-7-32(8-5-30)51-37-22-31(46-19-15-44(16-20-46)28(2)48)6-10-36(37)49-23-33-24-50-38(52-33,25-42-12-11-41-26-42)34-9-3-29(39)21-35(34)40/h3-12,21-22,26,33H,13-20,23-25H2,1-2H3/t33-,38-/m1/s1

InChIKey

VMDQNVDMNGLNOT-VRLMBGIESA-N

Smiles

CC(=O)N1CCN(CC1)c2ccc(cc2)Oc3cc(ccc3OC[C@@H]4CO[C@@](O4)(Cn5ccnc5)c6ccc(cc6Cl)Cl)N7CCN(CC7)C(=O)C