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Myclobutanil

CAT: 0013-GTR19160897-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160897-01Size:200 mg
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Description
Myclobutanil is a triazole chemical used as a fungicide. It is a steroid demethylation inhibitor, specifically inhibiting ergosterol biosynthesis. Ergosterol is a critical component of fungal cell membranes. (In Vitro) :Myclobutanil reduces cell viability to <50% at 100 ppm and to <10% at 500 ppm. Myclobutanil promotes a slight, but significant, increase in fatty acid (FA) -induced steatotosis at doses from 1 to 100 ppm. Anti-apoptotic biomarkers are significantly reduced by Myclobutanil.
CAS Number
88671-89-0
Product Name Alternative
RH 3866
Purity
>98% (HPLC)
Solubility
Soluble in Water
Smiles
N#CC (C1=CC=C (Cl) C=C1) (CCCC) CN2N=CN=C2
Molecular Formula
C15H17ClN4
Molecular Weight
288.78
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- ((1H-1,2,4-triazol-1-yl) methyl) -2- (4-chlorophenyl) hexanenitrile

Chemical Information

Myclobutanil

Myclobutanil can cause developmental toxicity and male reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number88671-89-0
PubChem CID6336
IUPAC Name2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Molecular FormulaC15H17ClN4
Molecular Weight288.77
XLogP2.9
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity345
SMILES
CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
InChIKey
HZJKXKUJVSEEFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Myclobutanil
CAS: 88671-89-0
CID: 6336
Formula: C15H17ClN4
MW: 288.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.77
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass288.1141743
Monoisotopic Mass288.1141743
Topological Polar Surface Area54.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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165061Myclobutanil
HY-W654282Myclobutanil-d9
T71341-01Myclobutanil hydroxide
HY-B2148R-01Myclobutanil (Standard)
CS-O-57268Myclobutanil D4

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