VIBUNAZOLE

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NCATS

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

Structure Search

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 `Mon Mar 31 18:00:18 GMT 2025` Edited by `admin` on `Mon Mar 31 18:00:18 GMT 2025`
Record UNII	LF5YFQ552K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VIBUNAZOLE

Common Name

English

BAY N 7133

Preferred 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

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 Mon Mar 31 18:00:18 GMT 2025 , Edited by admin on Mon Mar 31 18:00:18 GMT 2025

PRIMARY

EPA CompTox

DTXSID201001251

Created by admin on Mon Mar 31 18:00:18 GMT 2025 , Edited by admin on Mon Mar 31 18:00:18 GMT 2025

PRIMARY

PUBCHEM

123676

Created by admin on Mon Mar 31 18:00:18 GMT 2025 , Edited by admin on Mon Mar 31 18:00:18 GMT 2025

PRIMARY

ECHA (EC/EINECS)

279-475-3

Created by admin on Mon Mar 31 18:00:18 GMT 2025 , Edited by admin on Mon Mar 31 18:00:18 GMT 2025

PRIMARY

FDA UNII

LF5YFQ552K

Created by admin on Mon Mar 31 18:00:18 GMT 2025 , Edited by admin on Mon Mar 31 18:00:18 GMT 2025

PRIMARY

Related Record Type Details


					NR0G3W568C

VIBUNAZOLE, (-)-

ACTIVE ISOMER -> PARENT


					S72S9RVE68

VIBUNAZOLE, (+)-

ENANTIOMER -> RACEMATE


					NR0G3W568C

VIBUNAZOLE, (-)-

ENANTIOMER -> RACEMATE

Related Record Type Details


					LF5YFQ552K

ACTIVE MOIETY