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Bendectin

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Name

Bendectin

EINECS N/A
CAS No. 8064-77-5 Density g/cm3
PSA 73.58000 LogP 0.88220
Solubility N/A Melting Point 207oC
Formula C19H35NO2•C17H22N2O•C8H11NO3•C4H6O4•2ClH Boiling Point 491.9°Cat760mmHg
Molecular Weight 940.18 Flash Point 251.3°C
Transport Information N/A Appearance N/A
Safety Human reproductive effects by ingestion: developmental abnormalities of the gastrointestinal system. Human and experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 8064-77-5 (Benedectin.) Hazard Symbols N/A
Synonyms

N/A

 

Bendectin Chemical Properties

Molecule structure of Bendectin (CAS NO.8064-77-5):

IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; butanedioic acid;2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;dihydrochloride 
Molecular Weight: 940.04384 g/mol
Molecular Formula: C48H76Cl2N4O10
H-Bond Donor: 7
H-Bond Acceptor: 14
Rotatable Bond Count: 19
Tautomer Count: 3
Exact Mass: 938.49385
MonoIsotopic Mass: 938.49385
Topological Polar Surface Area: 203
Heavy Atom Count: 64
Complexity: 837
Canonical SMILES: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.CC1=NC=C(C(=C1O)CO)CO.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O.Cl.Cl
InChI: InChI=1S/C19H35NO2.C17H22N2O.C8H11NO3.C4H6O4.2ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-5-8(12)7(4-11)6(3-10)2-9-5;5-3(6)1-2-4(7)8;;/h17H,3-16H2,1-2H3;4-12H,13-14H2,1-3H3;2,10-12H,3-4H2,1H3;1-2H2,(H,5,6)(H,7,8);2*1H
InChIKey: SKNCYEAIKRVFGR-UHFFFAOYSA-N

Bendectin Safety Profile

Human reproductive effects by ingestion: developmental abnormalities of the gastrointestinal system. Human and experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl.

Bendectin Specification

 Bendectin (CAS NO.8064-77-5) is also called Debendox ; Doxylamine succinate mixt. with 2-(diethylamino)ethyl (1,1'-
bicyclohexyl)-1-carboxylate hydrochloride and 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride ; Lenotan ; Butanedioic acid, compd. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1), mixt. with 2-(diethylamino)ethyl (1,1'-bicyclohexyl)-1-carboxylate hydrochloride and 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride ; Butanedioic acid, compd. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1),mixt. with 2-(diethylamino)ethyl(1,1'-bicyclohexyl)-1-carboxylate hydrochloride and 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride . Bendectin (CAS NO.8064-77-5) is white powder. It is slightly soluble in water. Bendectin is a mixture of esters and amines. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Symptoms of exposure to Benedectin may include drowsiness; lethargy; fatigue; disorientation; dizziness; unsteady gait; tinnitus; headache; blurred vision; nervousness; tremors; irritability; epigastric pain; nausea; vomiting; diarrhea and/or constipation; dry mouth; palpitations; hallucinations; hypnosis; coma and seizures. Flash point data for Benedectin are not available. Benedectin is probably combustible.

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