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Details

Stereochemistry RACEMIC
Molecular Formula C14H14Cl2N2O3
Molecular Weight 329.179
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-DIOXOLANE-4-METHANOL, (2R,4S)-(±)--

SMILES

OC[C@H]1CO[C@@](CN2C=CN=C2)(O1)C3=CC=C(Cl)C=C3Cl

InChI

InChIKey=VJZJGRMLFMJRGG-FZMZJTMJSA-N
InChI=1S/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2/t11-,14-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, CIS-
Preferred Name English
2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOL, (2R,4S)-(±)--
Systematic Name English
REL-(2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
L12GHF7MXQ
Created by admin on Tue Apr 01 21:25:00 GMT 2025 , Edited by admin on Tue Apr 01 21:25:00 GMT 2025
PRIMARY
CAS
61397-58-8
Created by admin on Tue Apr 01 21:25:00 GMT 2025 , Edited by admin on Tue Apr 01 21:25:00 GMT 2025
PRIMARY
PUBCHEM
794639
Created by admin on Tue Apr 01 21:25:00 GMT 2025 , Edited by admin on Tue Apr 01 21:25:00 GMT 2025
PRIMARY
ECHA (EC/EINECS)
262-766-4
Created by admin on Tue Apr 01 21:25:00 GMT 2025 , Edited by admin on Tue Apr 01 21:25:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID501126656
Created by admin on Tue Apr 01 21:25:00 GMT 2025 , Edited by admin on Tue Apr 01 21:25:00 GMT 2025
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of KETOCONAZOLE
NIH
NCATS
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