N-Methyl-Naltrindole, C-11
[CAS# 111555-57-8]

Identification

• Name: N-Methyl-Naltrindole, C-11
• Synonyms: N-Methylnaltrindole; 4,8-Methanobenzofuro(2,3-A)Pyrido(4,3-B)Carbazole-1,8A(9H)-Diol, 7-(Cyclopropylmethyl)-5,6,7,8,14,14B-Hexahydro-14-Methyl-, (8R-(4Bs*,8Alpha,8Abeta,14Bbeta))-
• Molecular Formula: C₂₇H₂₈N₂O₃
• Molecular Weight: 428.53
• CAS Registry Number: 111555-57-8
• SMILES: [C@]135[C@@]6([C@H](N(CC1)CC2CC2)CC4=CC=C(C(=C34)O[C@H]5C7=C(C6)C8=C([N]7C)C=CC=C8)O)O
• InChI: 1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
• InChIKey: CRTCCMARDBQOKA-NVSKSXHLSA-N

Properties

• Density: 1.58g/cm³ (Cal.)
• Boiling point: 645.798°C at 760 mmHg (Cal.)
• Flash point: 344.367°C (Cal.)