Nicospan
[CAS# 99390-77-9]

Identification

• Name: Nicospan
• Synonyms: (3E)-3-[(3,4-Diethoxyphenyl)Methylene]-6,7-Diethoxy-2,4-Dihydro-1H-Isoquinoline; Nicotinic Acid; Hydrochloride; (3E)-3-(3,4-Diethoxybenzylidene)-6,7-Diethoxy-2,4-Dihydro-1H-Isoquinoline; Nicotinic Acid; Hydrochloride
• Molecular Formula: C₃₀H₃₇ClN₂O₆
• Molecular Weight: 557.09
• CAS Registry Number: 99390-77-9
• SMILES: [H+].C1=C2C(=CC(=C1OCC)OCC)CNC(/C2)=C/C3=CC(=C(OCC)C=C3)OCC.C4=CC=NC=C4C(O)=O.[Cl-]
• InChI: 1S/C24H31NO4.C6H5NO2.ClH/c1-5-26-21-10-9-17(12-22(21)27-6-2)11-20-13-18-14-23(28-7-3)24(29-8-4)15-19(18)16-25-20;8-6(9)5-2-1-3-7-4-5;/h9-12,14-15,25H,5-8,13,16H2,1-4H3;1-4H,(H,8,9);1H/b20-11+
• InChIKey: PZOAOSDRWLCEKJ-XIIGDXBDSA-N

Properties

• Boiling point: 567.1°C at 760 mmHg (Cal.)
• Flash point: 241.6°C (Cal.)