Naltrindole Isothiocyanate
[CAS# 126876-64-0]

Identification

• Name: Naltrindole Isothiocyanate
• Synonyms: Naltrindole 5'-Isothiocyanate
• Molecular Formula: C₂₇H₂₅N₃O₃S
• Molecular Weight: 471.57
• CAS Registry Number: 126876-64-0
• SMILES: [C@@H]15C7=C(C[C@]2(C13CCN([C@@H]2CC4=C3C(=C(C=C4)O)O5)CC6CC6)O)C8=C([NH]7)C=CC(=C8)N=C=S
• InChI: 1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2/t21-,25-,26?,27+/m1/s1
• InChIKey: PHACSLSFPGYKLR-PYSPGAMNSA-N