Naldecon
[CAS# 83097-12-5]

Identification

• Name: Naldecon
• Synonyms: [2-[(1R)-1-Aminoethyl]Phenyl]Methanol; 2-(2-Benzylphenoxy)-N,N-Dimethyl-Ethanamine; (E)-4-(4-Chlorophenoxy)-4-Oxo-But-2-Enoic Acid; Citric Acid; N,N-Dimethyl-3-(2-Pyridyl)Propan-1-Amine; 3-[(1R)-1-Hydroxy-2-Methylamino-Ethyl]Phenol
• Molecular Formula: C₆₁H₈₀Cl₃N₅O₁₅
• Molecular Weight: 1229.69
• CAS Registry Number: 83097-12-5
• SMILES: N(CCCC1=CC=CC=N1)(C)C.N[C@@H](C2=CC=CC=C2CO)C.N(C[C@H](O)C3=CC(=CC=C3)O)C.[H+].[H+].C4=C(OC(=O)\C=C\C(O)=O)C=CC(=C4)Cl.[Cl-].C(C(O)(CC(O)=O)C(O)=O)C(O)=O.[Cl-].C(C5=CC=CC=C5OCCN(C)C)C6=CC=CC=C6
• InChI: 1S/C17H21NO.C10H7ClO4.C10H16N2.C9H13NO2.C9H13NO.C6H8O7.2ClH/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;11-7-1-3-8(4-2-7)15-10(14)6-5-9(12)13;1-12(2)9-5-7-10-6-3-4-8-11-10;1-10-6-9(12)7-3-2-4-8(11)5-7;1-7(10)9-5-3-2-4-8(9)6-11;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-11H,12-14H2,1-2H3;1-6H,(H,12,13);3-4,6,8H,5,7,9H2,1-2H3;2-5,9-12H,6H2,1H3;2-5,7,11H,6,10H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H/b;6-5+;;;;;;/t;;;9-;7-;;;/m...01.../s1
• InChIKey: RIQVSDVCGFIZOT-JFLQEDJXSA-N