Isothebaine

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

CAS: 568-21-8

Molecular Formula	`C19H21NO3`
Molecular Weight	311.4 g/mol
LogP	2.6
Topological Polar Surface Area	41.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	311.15213
Heavy Atoms	23
Complexity	431.0

Chemical Identifiers

CAS Number	568-21-8
SMILES	`CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC`
InChIKey	`RQCOQZNIQLKGTN-ZDUSSCGKSA-N`

📖 Product Overview

Isothebaine (CAS: 568-21-8) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.4 g/mol. Its IUPAC systematic name is (6aS)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol. LogP 2.6 Topological Polar Surface Area 41.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 311.15213 Heavy Atoms 23 Complexity 431.0 InChI Key: RQCOQZNIQLKGTN-ZDUSSCGKSA-N. SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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