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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18Cl2N2O2
Molecular Weight 341.232
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)(C)C(=O)[C@H](CN1C=CN=C1)OC2=CC=C(Cl)C=C2Cl

InChI

InChIKey=JDSGUKVHXNGRIP-AWEZNQCLSA-N
InChI=1S/C16H18Cl2N2O2/c1-16(2,3)15(21)14(9-20-7-6-19-10-20)22-13-5-4-11(17)8-12(13)18/h4-8,10,14H,9H2,1-3H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18Cl2N2O2
Molecular Weight 341.232
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 Sat Dec 16 11:21:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:21:30 GMT 2023
Record UNII
1ON8YSO424
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALCONAZOLE, (S)-
Common Name English
3-PENTANONE, 2-(2,4-DICHLOROPHENOXY)-1-(1H-IMIDAZOL-1-YL)-4,4-DIMETHYL-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
1ON8YSO424
Created by admin on Sat Dec 16 11:21:30 GMT 2023 , Edited by admin on Sat Dec 16 11:21:30 GMT 2023
PRIMARY
PUBCHEM
76956916
Created by admin on Sat Dec 16 11:21:30 GMT 2023 , Edited by admin on Sat Dec 16 11:21:30 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER