BIAdb LS-87158 2563

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BIAdb LS-87158 2563
Systematic (IUPAC) name
(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethoxy]azanium dichloride
Identifiers
CAS number	?
ATC code	?
PubChem	5361180
Chemical data
Formula	C28H36Cl2N4O7
Mol. mass	611.51404
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

611.51404

*Exact Mass

610.196105

*Molecular Formula

C₂₈H₃₆Cl₂N₄O₇

*IUPAC NAME

(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethoxy]azanium dichloride

*Canonical Smiles

COC1=C(C=C(C=C1)C(=[NH+]OCC(=O)NCC[NH+]2CCOCC2)C3=NC=CC4=CC(=C(C=C43)OC)OC)OC.[Cl-].[Cl-]

*Isomeric Smiles

COC1=C(C=C(C=C1)/C(=[NH+]OCC(=O)NCC[NH+]2CCOCC2)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC.[Cl-].[Cl-]

*XLogP

N/A

*Hydrogen bond donor

3

*Hydrogen bond acceptor

10

*Rotational Bond Count

12

*Topological Polar Surface Area

116

[edit] External Links

• Pubchem

Link to BIAdb Database