Dehydroemetine

(11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine

CAS: 4914-30-1

Molecular Formula	`C29H38N2O4`
Molecular Weight	478.6 g/mol
LogP	3.7
Topological Polar Surface Area	52.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	478.28317
Heavy Atoms	35
Complexity	744.0

Chemical Identifiers

CAS Number	4914-30-1
SMILES	`CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC`
InChIKey	`XXLZPUYGHQWHRN-RPBOFIJWSA-N`

📖 Product Overview

Dehydroemetine (CAS: 4914-30-1) is a chemical compound with molecular formula C29H38N2O4 and molecular weight 478.6 g/mol. Its IUPAC systematic name is (11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine. LogP 3.7 Topological Polar Surface Area 52.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 478.28317 Heavy Atoms 35 Complexity 744.0 InChI Key: XXLZPUYGHQWHRN-RPBOFIJWSA-N. SMILES: CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)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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