Ketoconazole, (2R,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28Cl2N4O4
Molecular Weight	531.431
Optical Activity	UNSPECIFIED
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=CN=C4)(O3)C5=CC=C(Cl)C=C5Cl)C=C2

InChI

InChIKey=XMAYWYJOQHXEEK-BVAGGSTKSA-N

InChI=1S/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+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28Cl2N4O4
Molecular Weight	531.431
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 `Sat Dec 16 20:13:29 UTC 2023` Edited by `admin` on `Sat Dec 16 20:13:29 UTC 2023`
Record UNII	2EWW9YYR6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ketoconazole, (2R,4R)-

Common Name

English

(2R,4R)-Ketoconazole

Common Name

English

Piperazine, 1-acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-

Systematic Name

English

Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, (2R-trans)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

12854713

Created by admin on Sat Dec 16 20:13:29 UTC 2023 , Edited by admin on Sat Dec 16 20:13:29 UTC 2023

PRIMARY

FDA UNII

2EWW9YYR6A

Created by admin on Sat Dec 16 20:13:29 UTC 2023 , Edited by admin on Sat Dec 16 20:13:29 UTC 2023

PRIMARY

CAS

142128-58-3

Created by admin on Sat Dec 16 20:13:29 UTC 2023 , Edited by admin on Sat Dec 16 20:13:29 UTC 2023

PRIMARY

Related Record Type Details


					3INP7D7XI3

KETOCONAZOLE, TRANS-

RACEMATE -> ENANTIOMER

Amount: