6,7-Diethoxy-1-(3,4-diethoxybenzyl)-3,4-dihydroisoquinoline hydrochloride

HCID 13491

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Basic information

CAS: 911-60-4
Standard SMILES: CCOc1ccc(CC2=[NH+]CCc3cc(OCC)c(OCC)cc32)cc1OCC.[Cl-]
InChIKey: STBFLOYKRMKBRN-UHFFFAOYSA-N
Molecular formula: C24H32ClNO4
Average molar mass: 434 g/mol
Monoisotopic mass: 433.2019862

Overview

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Names & identifiers

Preferred name: 6,7-Diethoxy-1-(3,4-diethoxybenzyl)-3,4-dihydroisoquinoline hydrochloride
IUPAC: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride

Names & synonyms

Chlorhydrate de dihydroperparine [French]Chlorhydrate de dihydroperparine6,7-Diethoxy-1-(3,4-diethoxybenzyl)-3,4-dihydroisoquinoline hydrochlorideISOQUINOLINE, 3,4-DIHYDRO-6,7-DIETHOXY-1-(3,4-DIETHOXYBENZYL)-, HYDROCHLORIDE

Database identifiers

CAS: 911-60-4
PubChem CID: 13491

Properties

Computed structural properties

Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 30
Formal charge: 0
Complexity: 511

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