naltrindole benzofuran
[CAS# 111555-58-9]

Identification

• Name: naltrindole benzofuran
• Synonyms: 4,8-Methano-5H-Bisbenzofuro(3,2-E:2',3'-G)Isoquinoline-1,8A(9H)-Diol, 7-(Cyclopropylmethyl)-6,7,8,14B-Tetrahydro-, (8R-(4Bs*,8Alpha,8Beta,14Bbeta))-; Naltriben; Naltrindole Benzofuran
• Molecular Formula: C₂₆H₂₅NO₄
• Molecular Weight: 415.49
• CAS Registry Number: 111555-58-9
• SMILES: [C@]135[C@]6(O)[C@H](N(CC1)CC2CC2)CC4=CC=C(O)C(=C34)O[C@H]5C7=C(C6)C8=C(O7)C=CC=C8
• InChI: 1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
• InChIKey: ZHVWWEYETMPAMX-IFKAHUTRSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 605.31°C at 760 mmHg (Cal.)
• Flash point: 319.88°C (Cal.)