Ornade
[CAS# 50808-49-6]

Identification

• Name: Ornade
• Synonyms: (4-Amino-4-Oxo-3,3-Diphenyl-Butyl)-Diisopropyl-Methyl-Ammonium; 2-Amino-1-Phenyl-Propan-1-Ol; (E)-4-(4-Chlorophenoxy)-4-Oxo-But-2-Enoic Acid; N,N-Dimethyl-3-(2-Pyridyl)Propan-1-Amine; Iodide; Hydrochloride
• Molecular Formula: C₅₂H₇₀Cl₂IN₅O₆
• Molecular Weight: 1058.97
• CAS Registry Number: 50808-49-6
• SMILES: N1=CC=CC=C1CCCN(C)C.[H+].C2=C(OC(=O)\C=C\C(O)=O)C=CC(=C2)Cl.[I-].C([N+](C(C)C)(C(C)C)C)CC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N.[Cl-].OC(C(N)C)C5=CC=CC=C5
• InChI: 1S/C23H32N2O.C10H7ClO4.C10H16N2.C9H13NO.ClH.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;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;1-7(10)9(11)8-5-3-2-4-6-8;;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1-6H,(H,12,13);3-4,6,8H,5,7,9H2,1-2H3;2-7,9,11H,10H2,1H3;2*1H/b;6-5+
• InChIKey: USTIHPLMMLYQFE-SJJGXFTNSA-N