Benedectin.
[CAS# 8064-77-5]

Identification

• Name: Benedectin.
• Synonyms: 4,5-Bis(Hydroxymethyl)-2-Methyl-Pyridin-3-Ol; 2-Diethylaminoethyl 1-Cyclohexylcyclohexane-1-Carboxylate; N,N-Dimethyl-2-[1-Phenyl-1-(2-Pyridyl)Ethoxy]Ethanamine; Succinic Acid; Dihydrochloride; 4,5-Bis(Hydroxymethyl)-2-Methyl-3-Pyridinol
• Molecular Formula: C₄₈H₇₆Cl₂N₄O₁₀
• Molecular Weight: 940.06
• CAS Registry Number: 8064-77-5
• SMILES: N1=C(C(=C(C(=C1)CO)CO)O)C.C(OC(=O)C3(C2CCCCC2)CCCCC3)CN(CC)CC.[Cl-].[Cl-].C(OC(C4=CC=CC=C4)(C5=CC=CC=N5)C)CN(C)C.C(CC(O)=O)C(O)=O
• 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