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Details

Stereochemistry RACEMIC
Molecular Formula C15H20ClN3O2
Molecular Weight 309.791
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIBUNAZOLE

SMILES

CC(C)(C)C(O)(COC1=CC=C(Cl)C=C1)CN2C=NC=N2

InChI

InChIKey=OCQPZTCGZAFWSG-UHFFFAOYSA-N
InChI=1S/C15H20ClN3O2/c1-14(2,3)15(20,8-19-11-17-10-18-19)9-21-13-6-4-12(16)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C15H20ClN3O2
Molecular Weight 309.791
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:01 GMT 2023
Edited
by admin
on Fri Dec 15 15:32:01 GMT 2023
Record UNII
LF5YFQ552K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VIBUNAZOLE
Common Name English
BAY-N-7133
Code English
(±)-1-(4-CHLOROPHENOXY)-3,3-DIMETHYL-2-(1,2,4-TRIAZOL-1-YLMETHYL)BUTAN-2-OL
Systematic Name English
BAY N 7133
Code English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-((4-CHLOROPHENOXY)METHYL)-.ALPHA.-(1,1-DIMETHYLETHYL)-
Systematic Name English
Code System Code Type Description
CAS
80456-55-9
Created by admin on Fri Dec 15 15:32:01 GMT 2023 , Edited by admin on Fri Dec 15 15:32:01 GMT 2023
PRIMARY
PUBCHEM
123676
Created by admin on Fri Dec 15 15:32:01 GMT 2023 , Edited by admin on Fri Dec 15 15:32:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-475-3
Created by admin on Fri Dec 15 15:32:01 GMT 2023 , Edited by admin on Fri Dec 15 15:32:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID20100125
Created by admin on Fri Dec 15 15:32:01 GMT 2023 , Edited by admin on Fri Dec 15 15:32:01 GMT 2023
PRIMARY
FDA UNII
LF5YFQ552K
Created by admin on Fri Dec 15 15:32:01 GMT 2023 , Edited by admin on Fri Dec 15 15:32:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE ISOMER -> PARENT
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY