chelerythrine structure

chelerythrine

1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide

Also Known As: chelerythrine|Chelerythrine hydroxide|Toddalin hydroxide|Toddalin|Toddaline hydroxide|Helleritrine hydroxide|Toddaline|Chelerythrinium hydroxide|Chelerythrine aurichloride|Chelerythrine, compd. with gold chloride (AuCl3)|(1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide|1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;hydroxide|[1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide|(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 1,2-DIMETHOXY-12-METHYL-, HYDROXIDE (1:1)|1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide|1,2-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide

CAS: 478-03-5
Molecular Formula C21H19NO5
Molecular Weight 365.1263 g/mol
LogP 3.5398
Topological Polar Surface Area 70.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 365.1263
Monoisotopic Mass 365.1263
Heavy Atoms 27
Complexity 1202.2168

Chemical Identifiers

CAS Number 478-03-5
SMILES C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-]

Product Overview

chelerythrine (CAS 478-03-5), with molecular formula C21H19NO5 and molecular weight 365.1263 g/mol. IUPAC: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide.

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