Evodiamine
[CAS# 5956-87-6]

Identification

• Name: Evodiamine
• Synonyms: (+)-Evodiamine; Indol(2',3':3,4)Pyrido(2,1-B)Quinazolin-5(7H)-One, 8,13,13B,14-Tetrahydro-14-Methyl-, (13Bs)-; Indol(2',3':3,4)Pyrido(2,1-B)Quinazolin-5(7H)-One, 8,13,13B,14-Tetrahydro-14-Methyl-, (S)-
• Molecular Formula: C₁₉H₁₇N₃O
• Molecular Weight: 303.36
• CAS Registry Number: 5956-87-6
• SMILES: C5=C4N(C3C1=C(C2=C([NH]1)C=CC=C2)CCN3C(C4=CC=C5)=O)C
• InChI: 1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
• InChIKey: TXDUTHBFYKGSAH-UHFFFAOYSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 575.07°C at 760 mmHg (Cal.)
• Flash point: 301.592°C (Cal.)

References

• (1): Larry V. Pearce, Pavel A. Petukhov, Tamas Szabo, Noemi Kedei, Fero Bizik, Alan P. Kozikowski and Peter M. Blumberg. Evodiamine functions as an agonist for the vanilloid receptor TRPV1, Org. Biomol. Chem., 2004, 2, 2281.