Akrinor
[CAS# 69910-62-9]

Identification

• Name: Akrinor
• Synonyms: 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[[(1S,2R)-2-Hydroxy-1-Methyl-2-Phenyl-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; Dihydrochloride; 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-[[(1S,2R)-2-Hydroxy-1-Methyl-2-Phenylethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione; Dihydrochloride
• Molecular Formula: C₃₅H₄₆Cl₂N₁₀O₈
• Molecular Weight: 805.72
• CAS Registry Number: 69910-62-9
• SMILES: [N]3(CCNCC(O)C1=CC(=C(O)C=C1)O)C2=C(N(C(=O)N(C2=O)C)C)N=C3.[C@@H](NCC[N]5C4=C(N(C(=O)N(C4=O)C)C)N=C5)([C@H](O)C6=CC=CC=C6)C.[H+].[H+].[Cl-].[Cl-]
• InChI: 1S/C18H23N5O3.C17H21N5O5.2ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;2*1H/t12-,15-;;;/m0.../s1
• InChIKey: RUUVZJIVMZGFMN-UZYDFEEFSA-N

Properties

• Boiling point: 723.6°C at 760 mmHg (Cal.)
• Flash point: 391.4°C (Cal.)