MedKoo Cat#: 577848 | Name: Myclobutanil hydroxide

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Myclobutanil hydroxide is a 14-α demethylase inhibitor that inhibits ergosterol synthesis and fungal cell wall formation. It also weakly inhibits testosterone production.

Chemical Structure

Myclobutanil hydroxide
Myclobutanil hydroxide
CAS#116928-93-9

Theoretical Analysis

MedKoo Cat#: 577848

Name: Myclobutanil hydroxide

CAS#: 116928-93-9

Chemical Formula: C15H17ClN4O

Exact Mass: 304.1091

Molecular Weight: 304.78

Elemental Analysis: C, 59.11; H, 5.62; Cl, 11.63; N, 18.38; O, 5.25

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Myclobutanil hydroxide
IUPAC/Chemical Name
1H-1,2,4-Triazole-1-propanenitrile, alpha-(4-chlorophenyl)-alpha-(3-hydroxybutyl)-
InChi Key
HIUOATAFAFIXAL-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H17ClN4O/c1-12(21)6-7-15(8-17,9-20-11-18-10-19-20)13-2-4-14(16)5-3-13/h2-5,10-12,21H,6-7,9H2,1H3
SMILES Code
CC(O)CCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 304.78 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Wang Y, Qiu J, Zhu W, Wang X, Zhang P, Wang D, Zhou Z. Enantioselective Metabolism and Interference on Tryptophan Metabolism of Myclobutanil in Rat Hepatocytes. Chirality. 2015 Sep;27(9):643-9. doi: 10.1002/chir.22479. Epub 2015 Jun 26. PubMed PMID: 26115377. 2: Li Y, Dong F, Liu X, Xu J, Han Y, Zheng Y. Enantioselectivity in tebuconazole and myclobutanil non-target toxicity and degradation in soils. Chemosphere. 2015 Mar;122:145-153. doi: 10.1016/j.chemosphere.2014.11.031. Epub 2014 Dec 2. PubMed PMID: 25475972. 3: Yan J, Zhang P, Wang X, Wang Y, Zhou Z, Zhu W. Stereoselective degradation of chiral fungicide myclobutanil in rat liver microsomes. Chirality. 2014 Jan;26(1):51-5. doi: 10.1002/chir.22265. Epub 2013 Nov 19. PubMed PMID: 24249205.