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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8N6
Molecular Weight 212.2107
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(1,3-PHENYLENE)DI-1H-1,2,4-TRIAZOLE

SMILES

C1=NN(C=N1)C2=CC(=CC=C2)N3C=NC=N3

InChI

InChIKey=WXNXRKYXCCDJHI-UHFFFAOYSA-N
InChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H

HIDE SMILES / InChI

Molecular Formula C10H8N6
Molecular Weight 212.2107
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:58:33 UTC 2023
Edited
by admin
on Sat Dec 16 06:58:33 UTC 2023
Record UNII
150GCO461X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1'-(1,3-PHENYLENE)DI-1H-1,2,4-TRIAZOLE
Systematic Name English
FLUCONAZOLE IMPURITY C [WHO-IP]
Common Name English
1H-1,2,4-TRIAZOLE, 1,1'-(1,3-PHENYLENE)BIS-
Systematic Name English
FLUCONAZOLE RELATED COMPOUND C [USP-RS]
Common Name English
FLUCONAZOLE IMPURITY C [EP IMPURITY]
Common Name English
FLUCONAZOLE RELATED COMPOUND C [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
68169234
Created by admin on Sat Dec 16 06:58:33 UTC 2023 , Edited by admin on Sat Dec 16 06:58:33 UTC 2023
PRIMARY
FDA UNII
150GCO461X
Created by admin on Sat Dec 16 06:58:33 UTC 2023 , Edited by admin on Sat Dec 16 06:58:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID60199409
Created by admin on Sat Dec 16 06:58:33 UTC 2023 , Edited by admin on Sat Dec 16 06:58:33 UTC 2023
PRIMARY
CAS
514222-44-7
Created by admin on Sat Dec 16 06:58:33 UTC 2023 , Edited by admin on Sat Dec 16 06:58:33 UTC 2023
PRIMARY
RS_ITEM_NUM
1271733
Created by admin on Sat Dec 16 06:58:33 UTC 2023 , Edited by admin on Sat Dec 16 06:58:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
In the chromatogram obtained with solution (1): ? the area of any peak corresponding to impurity C is not is not greater than 0.1 times the area of the principal peak in the chromatogram obtained with solution (3) (0.1 %)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP