Limptar
[CAS# 77944-87-7]

Identification

• Name: Limptar
• Synonyms: 3,7-Dimethylpurine-2,6-Dione; Ethane-1,2-Diamine; (R)-(6-Methoxy-4-Quinolyl)-[(2S,4R,6S)-6-Vinylquinuclidin-2-Yl]Methanol; Sulfuric Acid; 3,7-Dimethylpurine-2,6-Dione; Ethane-1,2-Diamine
• Molecular Formula: C₅₈H₈₂N₁₆O₁₂S
• Molecular Weight: 1227.45
• CAS Registry Number: 77944-87-7
• SMILES: [N]2(C1=C(N(C(=O)NC1=O)C)N=C2)C.[N]4(C3=C(N(C(=O)NC3=O)C)N=C4)C.NCCN.NCCN.[C@H]56C[C@H](N([C@@H](C5)C=C)CC6)[C@H](O)C7=C8C(=NC=C7)C=CC(=C8)OC.[C@H]9%10C[C@H](N([C@@H](C9)C=C)CC%10)[C@H](O)C%11=C%12C(=NC=C%11)C=CC(=C%12)OC.O=[S](O)(O)=O
• InChI: 1S/2C20H24N2O2.2C7H8N4O2.2C2H8N2.H2O4S/c2*1-3-14-10-13-7-9-22(14)19(11-13)20(23)16-6-8-21-18-5-4-15(24-2)12-17(16)18;2*1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;2*3-1-2-4;1-5(2,3)4/h2*3-6,8,12-14,19-20,23H,1,7,9-11H2,2H3;2*3H,1-2H3,(H,9,12,13);2*1-4H2;(H2,1,2,3,4)/t2*13-,14-,19+,20-;;;;;/m11...../s1
• InChIKey: TYOYYEQGCDDSSI-AKQOMOBWSA-N

Properties

• Boiling point: 495.9°C at 760 mmHg (Cal.)
• Flash point: 253.7°C (Cal.)