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SAU

Summary
Name:13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
Synonyms:Sanguinarine
Formula:C20 H14 N O4
Formal charge:1
Formula weight:332.329 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.0113-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C
SMILES_CANONICALCACTVS3.370C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
SMILESCACTVS3.370C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
SMILES_CANONICALOpenEye OEToolkits1.7.0C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
SMILESOpenEye OEToolkits1.7.0C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
InChIInChI1.03InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
InChIKeyInChI1.03INVGWHRKADIJHF-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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