Ketoconazole N-Oxide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28Cl2N4O5
Molecular Weight	547.43
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N1CC[N+]([O-])(CC1)C2=CC=C(OC[C@H]3CO[C@@](CN4C=CN=C4)(O3)C5=CC=C(Cl)C=C5Cl)C=C2

InChI

InChIKey=TVMVVRYAPWZNJP-OZXSUGGESA-N

InChI=1S/C26H28Cl2N4O5/c1-19(33)31-10-12-32(34,13-11-31)21-3-5-22(6-4-21)35-15-23-16-36-26(37-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Ketoconazole N-Oxide

Common Name

English

1-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-oxido-1-piperazinyl]ethanone

Preferred Name

English

Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-oxido-1-piperazinyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

8NL88VMV8G

Created by admin on Wed Apr 02 17:51:51 GMT 2025 , Edited by admin on Wed Apr 02 17:51:51 GMT 2025

PRIMARY

PUBCHEM

129318412

Created by admin on Wed Apr 02 17:51:51 GMT 2025 , Edited by admin on Wed Apr 02 17:51:51 GMT 2025

PRIMARY

CAS

1392277-16-5

Created by admin on Wed Apr 02 17:51:51 GMT 2025 , Edited by admin on Wed Apr 02 17:51:51 GMT 2025

PRIMARY

SUBSTANCE RECORD


					8NL88VMV8G

Ketoconazole N-Oxide