N-DEACETYLKETOCONAZOLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H26Cl2N4O3
Molecular Weight	489.394
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=C(C(Cl)=C1)[C@@]3(CN2C=CN=C2)OC[C@H](COC4=CC=C(C=C4)N5CCNCC5)O3

InChI

InChIKey=LOUXSEJZCPKWAX-URXFXBBRSA-N

InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H26Cl2N4O3
Molecular Weight	489.394
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 `Mon Mar 31 22:57:27 GMT 2025` Edited by `admin` on `Mon Mar 31 22:57:27 GMT 2025`
Record UNII	P7P4A1FD7Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DEACETYLKETOCONAZOLE

Common Name

English

R-39519

Preferred Name

English

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

Systematic Name

English

DEACYLKETOCONAZOLE

Common Name

English

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

Common Name

English

N-DEACETYLKETOCONAZOLE-(±)-

Common Name

English

DEACETYLKETOCONAZOLE

Common Name

English

PIPERAZINE, 1-(4-(((2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-, REL-

Systematic Name

English

KETOCONAZOLE IMPURITY D [EP IMPURITY]

Common Name

English

Code System Code Type Description

CAS

67914-61-8