Isothebaine hydrochloride

(6aS)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol chloride

CAS: 25650-97-9

Molecular Formula	`C19H22ClNO3`
Molecular Weight	347.8 g/mol
Topological Polar Surface Area	43.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	347.1288
Heavy Atoms	24
Complexity	431.0

Chemical Identifiers

CAS Number	25650-97-9
SMILES	`C[NH+]1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC.[Cl-]`
InChIKey	`QAYYSHAZDXVKBZ-ZOWNYOTGSA-N`

📖 Product Overview

Isothebaine hydrochloride (CAS: 25650-97-9) is a chemical compound with molecular formula C19H22ClNO3 and molecular weight 347.8 g/mol. Its IUPAC systematic name is (6aS)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol chloride. Topological Polar Surface Area 43.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 347.1288 Heavy Atoms 24 Complexity 431.0 InChI Key: QAYYSHAZDXVKBZ-ZOWNYOTGSA-N. SMILES: C[NH+]1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC.[Cl-].

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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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