Binaltorphimine
[CAS# 105618-27-7]

Identification

• Name: Binaltorphimine
• Synonyms: Binaltorphimine; Bni Ligand
• Molecular Formula: C₄₁H₄₅N₃O₆
• Molecular Weight: 675.82
• CAS Registry Number: 105618-27-7
• SMILES: [C@@]89%12[C@@]%11(O)CC1=C([N](C2=C1C[C@]5(O)[C@]36[C@H]2OC4=C(O)C=CC(=C34)C[C@H]5N(CC6)CC7CC7)C)[C@@H]8OC%10=C(O)C=CC(=C9%10)C[C@H]%11N(CC%12)CC%13CC%13
• InChI: 1S/C41H45N3O6/c1-42-32-24(16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,36(32)49-34)10-12-43(28)18-20-2-3-20)25-17-41(48)29-15-23-7-9-27(46)35-31(23)39(41,37(50-35)33(25)42)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,45-48H,2-5,10-19H2,1H3/t28-,29-,36+,37+,38+,39+,40-,41-/m1/s1
• InChIKey: DKIVQMBUHVYDFC-IWRYZOJTSA-N

Properties

• Density: 1.801g/cm³ (Cal.)