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CAS No.: | 31430-15-6 |
---|---|
Name: | Flubendazole |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C16H12FN3O3 |
Molecular Weight: | 313.288 |
Synonyms: | N-{5-[(4-Fluorophenyl)carbonyl]benzimidazol-2-yl}methyloxymethanamide;Flubendazolum [INN-Latin];Flumoxane;Fluvermal;Flubenol;Flumoxal;R 17899;methyl N-[5-(4-fluorobenzoyl)-3H-benzoimidazol-2-yl]carbamate;Methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamate;Carbamic acid,[5-(4-fluorobenzoyl)-1Hbenzimidazol- 2-yl]-,methyl ester;2-Benzimidazolecarbamic acid, 5- (p-fluorobenzoyl)-, methyl ester; |
EINECS: | 250-624-4 |
Density: | 1.444 g/cm3 |
Melting Point: | 290 °C |
Appearance: | almost white powder |
Risk Codes: | 22 |
Safety: | 44 |
PSA: | 84.08000 |
LogP: | 3.18430 |
(3,4-diaminophenyl)(4-fluorophenyl)ketone
O-methyl-N-(methoxycarbonyl)-isourea
flubendazole
Conditions | Yield |
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With formic acid at 80℃; for 3h; | 87.6% |
flubendazole
Conditions | Yield |
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With formic acid |
flubendazole
di-tert-butyl chloromethyl phosphate
A
C17H15FN3O7P
B
C17H15FN3O7P
Conditions | Yield |
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Stage #1: flubendazole; di-tert-butyl chloromethyl phosphate With sodium hydride In N,N-dimethyl-formamide at 20℃; for 5h; Stage #2: With hydrogenchloride In 1,4-dioxane Further stages. Title compound not separated from byproducts.; |
Conditions | Yield |
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In methanol for 12h; Reflux; |
Conditions | Yield |
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In methanol for 12h; Reflux; |
Conditions | Yield |
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In methanol for 12h; Reflux; |
Conditions | Yield |
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for 6h; Reflux; |
Conditions | Yield |
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In methanol for 6h; Reflux; |
Conditions | Yield |
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In methanol for 6h; Reflux; |
The Flubendazole, with the CAS registry number 31430-15-6, is also known as (5-(4-Fluorobenzoyl)-1H-benzimidazole-2-yl)carbamic acid methyl ester. It belongs to the product categories of Active Pharmaceutical Ingredients;Fluorobenzene.Its EINECS number is 250-624-4. This chemical's molecular formula is C16H12FN3O3 and molecular weight is 313.29. What's more,Its systematic name is Flubendazole.This product is white or kind of white powder; Odourless. This product is insoluble in methanol and chloroform; Slightly soluble in dilute hydrochloric acid.It is the p-fluoro analog of mebendazole.And its raw materials is fluorobenzene.The Flubendazole is mainly used in pig, poultry, gastrointestinal worm disease.
Physical properties about Flubendazole are:
(1)ACD/LogP: 3.084; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 110.57; (6)ACD/BCF (pH 7.4): 128.55; (7)ACD/KOC (pH 5.5): 964.97; (8)ACD/KOC (pH 7.4): 1121.85; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 82.424 cm3; (14)Molar Volume: 216.865 cm3; (15)Surface Tension: 64.6859970092773 dyne/cm; (16)Density: 1.445 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES:Fc1ccc(cc1)C(=O)c3cc2c(nc(n2)NC(=O)OC)cc3;
(2)Std. InChI:InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22);
(3)Std. InChIKey:CPEUVMUXAHMANV-UHFFFAOYSA-N;