Evodiamine

CAS	518-17-2
Structure
Synonyms	D-Evodiamine
IUPAC Name	(1S)-21-Methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
Molecular Weight	303.36
Molecular Formula	C19H17N3O
Canonical SMILES	CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
InChI	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/t18-/m0/s1
InChI Key	TXDUTHBFYKGSAH-SFHVURJKSA-N
Boiling Point	444.29 °C
Melting Point	278 °C
Purity	98%+
Density	1.1684 g/cm³
Refractive Index	1.5900
pKa	17.27±0.20(Predicted)
Appearance	Yellow solid