SAU

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

Created:	2010-07-25
Last modified:	2020-06-05

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6 entries where SAU is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	39
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	21

2D diagram of SAU

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Chemical Component Summary
Name	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
Synonyms	Sanguinarine
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₀ H₁₄ N O₄
Molecular Weight	332.329
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C
SMILES	CACTVS	3.370	C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
SMILES	OpenEye OEToolkits	1.7.0	C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
Canonical SMILES	CACTVS	3.370	C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
InChI	InChI	1.03	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
InChIKey	InChI	1.03	INVGWHRKADIJHF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL417799
PubChem	5154
ChEMBL	CHEMBL417799
ChEBI	CHEBI:17183

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