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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 of N-DEACETYLKETOCONAZOLE

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 Thu Jul 06 15:31:17 UTC 2023
Edited
by admin
on Thu Jul 06 15:31:17 UTC 2023
Record UNII
P7P4A1FD7Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEACETYLKETOCONAZOLE
Common 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
R-39519
Code 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
Created by admin on Thu Jul 06 15:31:17 UTC 2023 , Edited by admin on Thu Jul 06 15:31:17 UTC 2023
PRIMARY
PUBCHEM
12854716
Created by admin on Thu Jul 06 15:31:17 UTC 2023 , Edited by admin on Thu Jul 06 15:31:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID30987294
Created by admin on Thu Jul 06 15:31:17 UTC 2023 , Edited by admin on Thu Jul 06 15:31:17 UTC 2023
PRIMARY
MESH
C035996
Created by admin on Thu Jul 06 15:31:17 UTC 2023 , Edited by admin on Thu Jul 06 15:31:17 UTC 2023
PRIMARY
FDA UNII
P7P4A1FD7Z
Created by admin on Thu Jul 06 15:31:17 UTC 2023 , Edited by admin on Thu Jul 06 15:31:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
267-745-3
Created by admin on Thu Jul 06 15:31:17 UTC 2023 , Edited by admin on Thu Jul 06 15:31:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
EP