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Triadimenol

CAT: 1410-M34724-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M34724-03Size:1 g
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Description
Triadimenol (UK 199) is a triazole fungicide that is cardiotoxic, promotes reactive oxygen species (ROS) production and apoptosis in zebrafish, and induces morphologic changes in zebrafish eyes and body length, as well as yolk sac and cardiac edema.
CAS Number
55219-65-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
295.77
Molecular Formula
C14H18ClN3O2
Notes
Research use only, not for human use.
Receptor
Antifungal

Chemical Information

Triadimenol

Triadimenol is a member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. It has a role as a xenobiotic metabolite, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a hemiaminal ether, an aromatic ether, a secondary alcohol, a member of monochlorobenzenes, a conazole fungicide and a triazole fungicide.

CAS Number55219-65-3
PubChem CID41368
IUPAC Name1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular FormulaC14H18ClN3O2
Molecular Weight295.76
XLogP3.1
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity303
SMILES
CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
InChIKey
BAZVSMNPJJMILC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triadimenol
CAS: 55219-65-3
CID: 41368
Formula: C14H18ClN3O2
MW: 295.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.76
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass295.1087545
Monoisotopic Mass295.1087545
Topological Polar Surface Area60.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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Alternative Products

CatalogName
CS-T-12230Triadimenol
468011-01Triadimenol A
HY-B0851R-01Triadimenol (Standard)
HY-B0851S-01Triadimenol-d4
S-3996Baytan (Triadimenol)
XCA69918-01Triadimenol-tert-butylhydroxy
N009Triazolone-Triadimenol Rapid Test Kit
C375061Triadimenol-d4 (4-chlorophenoxy-d4) (mixture of stereoisomers)
TRC-C375060-10Gb-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol(Mixture of Diastereomers) (Triadimenol)
TRC-C375060-1Gbeta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol(Mixture of Diastereomers) (Triadimenol)

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