chelerythrine

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

CAS: 34316-15-9

Molecular Formula	`C21H18NO4+`
Molecular Weight	348.4 g/mol
LogP	4.6
Topological Polar Surface Area	40.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	348.1236
Heavy Atoms	26
Complexity	516.0

Chemical Identifiers

CAS Number	34316-15-9
SMILES	`C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5`
InChIKey	`LLEJIEBFSOEYIV-UHFFFAOYSA-N`

📖 Product Overview

chelerythrine (CAS: 34316-15-9) is a chemical compound with molecular formula C21H18NO4+ and molecular weight 348.4 g/mol. Its IUPAC systematic name is 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium. LogP 4.6 Topological Polar Surface Area 40.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 348.1236 Heavy Atoms 26 Complexity 516.0 InChI Key: LLEJIEBFSOEYIV-UHFFFAOYSA-N. SMILES: C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.

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