KETOCONAZOLE-HYDROXY

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H28Cl2N4O5
Molecular Weight	547.43
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N1CCN(CC1)C2=CC=C(OC[C@H]3CO[C@@](CN4C=NC(O)=C4)(O3)C5=C(Cl)C=C(Cl)C=C5)C=C2

InChI

InChIKey=VOCPLEFXUSVSRD-NVQXNPDNSA-N

InChI=1S/C26H28Cl2N4O5/c1-18(33)31-8-10-32(11-9-31)20-3-5-21(6-4-20)35-14-22-15-36-26(37-22,16-30-13-25(34)29-17-30)23-7-2-19(27)12-24(23)28/h2-7,12-13,17,22,34H,8-11,14-16H2,1H3/t22-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H28Cl2N4O5
Molecular Weight	547.43
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:24:57 GMT 2025` Edited by `admin` on `Tue Apr 01 21:24:57 GMT 2025`
Record UNII	A5BAG8KDK5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(4-(4-(((2R)-2-(4,6-DICHLOROCYCLOHEXA-2,4-DIEN-1-YL)-2-((4-HYDROXYIMIDAZOL-1-YL)METHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)ETHANONE

Preferred Name

English

KETOCONAZOLE-HYDROXY

Common Name

English

Code System Code Type Description

PUBCHEM

156613660

Created by admin on Tue Apr 01 21:24:57 GMT 2025 , Edited by admin on Tue Apr 01 21:24:57 GMT 2025

PRIMARY

FDA UNII

A5BAG8KDK5

Created by admin on Tue Apr 01 21:24:57 GMT 2025 , Edited by admin on Tue Apr 01 21:24:57 GMT 2025

PRIMARY

Related Record Type Details


					R9400W927I

KETOCONAZOLE

PARENT -> METABOLITE INACTIVE

Comments:

Evidence that CYP3A4 plays a significant role in metabolism of ketoconazole is that coadministration of CYP3A4 inducers, such as phenytoin, carbamazepine, and rifampin, can cause as much as a 50%reduction in levels of ketoconazole.

Qualification:

MAY BE CLINICALLY SIGNIFICANT