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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H14Cl4N2O
Molecular Weight 416.129
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCONAZOLE, (S)-

SMILES

ClC1=CC(Cl)=C(C=C1)[C@@H](CN2C=CN=C2)OCC3=C(Cl)C=CC=C3Cl

InChI

InChIKey=MPIPASJGOJYODL-GOSISDBHSA-N
InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H14Cl4N2O
Molecular Weight 416.129
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:00:43 GMT 2025
Edited
by admin
on Tue Apr 01 17:00:43 GMT 2025
Record UNII
5XWC1W689U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCONAZOLE, (S)-
Common Name English
1H-IMIDAZOLE, 1-((2S)-2-(2,4-DICHLOROPHENYL)-2-((2,6-DICHLOROPHENYL)METHOXY)ETHYL)-
Preferred Name English
Code System Code Type Description
CAS
322764-96-5
Created by admin on Tue Apr 01 17:00:43 GMT 2025 , Edited by admin on Tue Apr 01 17:00:43 GMT 2025
PRIMARY
PUBCHEM
25273632
Created by admin on Tue Apr 01 17:00:43 GMT 2025 , Edited by admin on Tue Apr 01 17:00:43 GMT 2025
PRIMARY
FDA UNII
5XWC1W689U
Created by admin on Tue Apr 01 17:00:43 GMT 2025 , Edited by admin on Tue Apr 01 17:00:43 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER