Sorbinicate
[CAS# 6184-06-1]

Identification

• Name: Sorbinicate
• Synonyms: [(1R,2R,3S)-1-[(1R)-1,2-Bis(Pyridine-3-Carbonyloxy)Ethyl]-2,3,4-Tris(Pyridine-3-Carbonyloxy)Butyl] Pyridine-3-Carboxylate Hydrochloride; 3-Pyridinecarboxylic Acid [(1R,2R,3S)-1-[(1R)-1,2-Bis[Oxo-(3-Pyridyl)Methoxy]Ethyl]-2,3,4-Tris[Oxo-(3-Pyridyl)Methoxy]Butyl] Ester Hydrochloride; Nicotinic Acid [(1R,2R,3S)-1-[(1R)-1,2-Dinicotinoyloxyethyl]-2,3,4-Trinicotinoyloxy-Butyl] Ester Hydrochloride
• Molecular Formula: C₄₂H₃₃ClN₆O₁₂
• Molecular Weight: 849.21
• CAS Registry Number: 6184-06-1
• EINECS: 228-230-9
• SMILES: [C@H](OC(=O)C1=CC=CN=C1)([C@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C3=CC=CN=C3)COC(=O)C4=CC=CN=C4)[C@@H](OC(=O)C5=CC=CN=C5)COC(=O)C6=CC=CN=C6.[H+].[Cl-]
• InChI: 1S/C42H32N6O12.ClH/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28;/h1-24,33-36H,25-26H2;1H/t33-,34+,35-,36-;/m1./s1
• InChIKey: ZIDXUICBBDCEFO-MYELBNEXSA-N

Properties

• Boiling point: 965.5°C at 760 mmHg (Cal.)
• Flash point: 537.7°C (Cal.)