8064-77-5

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

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 NO_x and HCl.

 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.