KETOCONAZOLE, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H28Cl2N4O4
Molecular Weight	531.431
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=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 10:53:08 UTC 2023` Edited by `admin` on `Sat Dec 16 10:53:08 UTC 2023`
Record UNII	3INP7D7XI3
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

KETOCONAZOLE, TRANS-

Common Name

English

PIPERAZINE, 1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-, TRANS-

Systematic 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)-, REL-

Systematic Name

English

TRANS-KETOCONAZOLE

Common Name

English

RS-36745

Code

English

1-ACETYL-4-(4-(((2RS,4RS)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE

Systematic Name

English

KETOCONAZOLE IMPURITY C [EP IMPURITY]

Common Name

English

R-44319

Code

English

KETOCONAZOLE, TRANS-(±)-

Common Name

English

Code System Code Type Description

PUBCHEM

12854713

Created by admin on Sat Dec 16 10:53:09 UTC 2023 , Edited by admin on Sat Dec 16 10:53:09 UTC 2023

PRIMARY

FDA UNII

3INP7D7XI3

Created by admin on Sat Dec 16 10:53:09 UTC 2023 , Edited by admin on Sat Dec 16 10:53:09 UTC 2023

PRIMARY

CHEBI

48342

Created by admin on Sat Dec 16 10:53:09 UTC 2023 , Edited by admin on Sat Dec 16 10:53:09 UTC 2023

PRIMARY

CAS

83374-59-8

Created by admin on Sat Dec 16 10:53:09 UTC 2023 , Edited by admin on Sat Dec 16 10:53:09 UTC 2023

PRIMARY

Related Record Type Details


					2EWW9YYR6A

Ketoconazole, (2R,4R)-

ENANTIOMER -> RACEMATE

Amount:

Related Record Type Details


					R9400W927I

KETOCONAZOLE

PARENT -> IMPURITY

Qualification:

EP