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Details

Stereochemistry RACEMIC
Molecular Formula C21H20Cl2N2O5S
Molecular Weight 483.365
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL 4-METHYLBENZENESULFONATE

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C4=CC=C(Cl)C=C4Cl

InChI

InChIKey=WAXNIYHZFWRPGS-UTKZUKDTSA-N
InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20Cl2N2O5S
Molecular Weight 483.365
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 16:28:00 UTC 2023
Edited
by admin
on Thu Jul 06 16:28:00 UTC 2023
Record UNII
644X337Z6T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL 4-METHYLBENZENESULFONATE
Common Name English
(±)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL 4-METHYLBENZENESULFONATE
Common Name English
KETOCONAZOLE IMPURITY E [EP IMPURITY]
Common Name English
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, 4-METHYLBENZENESULFONATE (ESTER), (2R,4R)-REL-
Systematic Name English
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, 4-(4-METHYLBENZENESULFONATE), (2R,4R)-REL-
Systematic Name English
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, 4-METHYLBENZENESULFONATE (ESTER), CIS-
Systematic Name English
Code System Code Type Description
CAS
134071-44-6
Created by admin on Thu Jul 06 16:28:00 UTC 2023 , Edited by admin on Thu Jul 06 16:28:00 UTC 2023
PRIMARY
FDA UNII
644X337Z6T
Created by admin on Thu Jul 06 16:28:00 UTC 2023 , Edited by admin on Thu Jul 06 16:28:00 UTC 2023
PRIMARY
PUBCHEM
10814675
Created by admin on Thu Jul 06 16:28:00 UTC 2023 , Edited by admin on Thu Jul 06 16:28:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID701105119
Created by admin on Thu Jul 06 16:28:00 UTC 2023 , Edited by admin on Thu Jul 06 16:28:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
EP