Sanguinarine

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Systematic / IUPAC Name: 13-Methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium

ID: Reference6151

Other Names: Pseudochelerythrine;
Sanguinarin;
Sanguinarium;
Sanguiritrin;
Sangvinarin ; more

Formula: C20H14NO4 +

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Sanguinarine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 2092
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/12/2016 10:05:47 AM
View Mass Spec Data > >

Identificators

InChI InChI=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
InChI Key INVGWHRKADIJHF-UHFFFAOYSA-N
Canonical SMILES C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
CAS
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Other Names Pseudochelerythrine;
Sanguinarin;
Sanguinarium;
Sanguiritrin;
Sangvinarin;
(1,3)-Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-;
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-;
13-Methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium;
Dimethylenedioxy benzphenanthridine

In Other Databases

ChemIDPlus 002447543
ChEBI CHEBI:17183
ChEMBL CHEMBL417799
ChemSpider 4970
PubChem 5154
Wikipedia Sanguinarine
KEGG C06162