Vobasine
[CAS# 2134-83-0]

Identification

• Name: Vobasine
• Synonyms: Vobasan-17-Oic Acid, 3-Oxo-, Methyl Ester, Monohydrochloride; Vobasine Chlorhydrate [French]; Vobasine Hydrochloride
• Molecular Formula: C₂₁H₂₅ClN₂O₃
• Molecular Weight: 388.89
• CAS Registry Number: 2134-83-0
• SMILES: [H+].C2=C1C4=C([NH]C1=CC=C2)C(=O)CC3C(C(N(C\C3=C\C)C)C4)C(OC)=O.[Cl-]
• InChI: 1S/C21H24N2O3.ClH/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3;/h4-8,14,17,19,22H,9-11H2,1-3H3;1H/b12-4-
• InChIKey: QTNJWRQWYXKRPM-XHNKNCTESA-N

Properties

• Boiling point: 526.8°C at 760 mmHg (Cal.)
• Flash point: 272.4°C (Cal.)