Berberrubine

Catalog	BBC15401691
CAS	15401-69-1
Structure
Synonyms	9-Berberoline chloride
IUPAC Name	17-Methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol;chloride
Molecular Weight	357.79
Molecular Formula	C19H16ClNO4
Canonical SMILES	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-]
InChI	InChI=1S/C19H15NO4.ClH/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21;/h2-3,6-9H,4-5,10H2,1H3;1H
InChI Key	GYFSYEVKFOOLFZ-UHFFFAOYSA-N
Boiling Point	149 °C
Melting Point	245 °C
Flash Point	901.4±65.0 °C
Purity	98%
Appearance	Powder
pKa	5.71±0.40