Phaeantharine

1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium

CAS: 27670-80-0

Molecular Formula	`C39H40N2O6+2`
Molecular Weight	632.7 g/mol
LogP	7.8
Topological Polar Surface Area	63.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	632.28864
Heavy Atoms	47
Complexity	948.0

Chemical Identifiers

CAS Number	27670-80-0
SMILES	`C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC`
InChIKey	`IWKHGZDMTOKGQP-UHFFFAOYSA-N`

📖 Product Overview

Phaeantharine (CAS: 27670-80-0) is a chemical compound with molecular formula C39H40N2O6+2 and molecular weight 632.7 g/mol. Its IUPAC systematic name is 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium. LogP 7.8 Topological Polar Surface Area 63.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 11 Exact Mass 632.28864 Heavy Atoms 47 Complexity 948.0 InChI Key: IWKHGZDMTOKGQP-UHFFFAOYSA-N. SMILES: C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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