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MedKoo Cat#: 558515 | Name: Benthiavalicarb isopropyl
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Description:

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

Benthiavalicarb isopropyl is a fungicide, specifically targeting blight and downy mildew.

Chemical Structure

Benthiavalicarb isopropyl
Benthiavalicarb isopropyl
CAS#177406-68-7

Theoretical Analysis

MedKoo Cat#: 558515

Name: Benthiavalicarb isopropyl

CAS#: 177406-68-7

Chemical Formula: C18H24FN3O3S

Exact Mass: 381.1500

Molecular Weight: 381.47

Elemental Analysis: C, 56.68; H, 6.34; F, 4.98; N, 11.02; O, 12.58; S, 8.40

Price and Availability

Size Price Availability Quantity
10mg USD 550.00 2 weeks
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Related CAS #
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Synonym
Benthiavalicarb isopropyl; Benthiavalicarb-isopropyl;
IUPAC/Chemical Name
1-methylethyl ((1S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)carbamate
InChi Key
USRKFGIXLGKMKU-ABAIWWIYSA-N
InChi Code
InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1
SMILES Code
O=C(OC(C)C)N[C@H](C(N[C@@H](C1=NC2=CC=C(F)C=C2S1)C)=O)C(C)C
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 381.47 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: European Food Safety Authority (EFSA); Alvarez F, Arena M, Auteri D, Borroto J, Brancato A, Carrasco Cabrera L, Castoldi AF, Chiusolo A, Colagiorgi A, Colas M, Crivellente F, De Lentdecker C, Egsmose M, Fait G, Ferilli F, Gouliarmou V, Greco L, Ippolito A, Istace F, Jarrah S, Kardassi D, Kienzler A, Leuschner R, Lava R, Linguadoca A, Lythgo C, Magrans O, Mangas I, Miron I, Molnar T, Padovani L, Parra Morte JM, Pedersen R, Reich H, Santos M, Sharp R, Szentes C, Terron A, Tiramani M, Vagenende B, Villamar-Bouza L. Peer review of the pesticide risk assessment of the active substance benthiavalicarb (variant assessed benthiavalicarb-isopropyl). EFSA J. 2021 Sep 27;19(9):e06833. doi: 10.2903/j.efsa.2021.6833. PMID: 34603534; PMCID: PMC8474053. 2: Omelchuk S, Syrota A, Vavrinevych O, Blagaia A, Lisovska V, Reshavska O. Experimental study on the carcinogenic effects of pesticides with ascertained carcinogenic activity under the conditions of its simultaneous influence on the organism of laboratory animals. Wiad Lek. 2018;71(7):1274-1280. PMID: 30448796. 3: Cohen Y. Root treatment with oxathiapiprolin, benthiavalicarb or their mixture provides prolonged systemic protection against oomycete foliar pathogens. PLoS One. 2020 Jan 13;15(1):e0227556. doi: 10.1371/journal.pone.0227556. PMID: 31929586; PMCID: PMC6957293. 4: Cohen Y, Rubin AE, Galperin M. Effective control of two genotypes of Phytophthora infestans in the field by three oxathiapiprolin fungicidal mixtures. PLoS One. 2021 Oct 8;16(10):e0258280. doi: 10.1371/journal.pone.0258280. PMID: 34624036; PMCID: PMC8500417. 5: Noguerol-Pato R, Torrado-Agrasar A, González-Barreiro C, Cancho-Grande B, Simal-Gándara J. Influence of new generation fungicides on Saccharomyces cerevisiae growth, grape must fermentation and aroma biosynthesis. Food Chem. 2014 Mar 1;146:234-41. doi: 10.1016/j.foodchem.2013.09.058. Epub 2013 Sep 19. PMID: 24176337. 6: Yoshida M, Inoue K, Takahashi M. Predictive modes of action of pesticides in uterine adenocarcinoma development in rats. J Toxicol Pathol. 2015 Oct;28(4):207-16. doi: 10.1293/tox.2015-0026. Epub 2015 Aug 27. Erratum in: J Toxicol Pathol. 2016 Jan;29(1):74. PMID: 26538810; PMCID: PMC4604130. 7: Cohen Y, Rubin AE. A new strategy for durable control of late blight in potato by a single soil application of an oxathiapiprolin mixture in early season. PLoS One. 2020 Aug 21;15(8):e0238148. doi: 10.1371/journal.pone.0238148. PMID: 32822425; PMCID: PMC7444534. 8: Uchida K, Sakuta K, Ito A, Takahashi Y, Katayama Y, Omatsu T, Mizutani T, Arie T, Komatsu K, Fukuhara T, Uematsu S, Okada R, Moriyama H. Two Novel Endornaviruses Co-infecting a Phytophthora Pathogen of Asparagus officinalis Modulate the Developmental Stages and Fungicide Sensitivities of the Host Oomycete. Front Microbiol. 2021 Feb 3;12:633502. doi: 10.3389/fmicb.2021.633502. PMID: 33633714; PMCID: PMC7902037. 9: Corrias F, Atzei A, Lai C, Dedola F, Ibba E, Zedda G, Canu F, Angioni A. Effects of Industrial Processing on Pesticide Multiresidues Transfer from Raw Tomatoes to Processed Products. Foods. 2020 Oct 19;9(10):1497. doi: 10.3390/foods9101497. PMID: 33086739; PMCID: PMC7588992.