BIAdb CID5361178 1760

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BIAdb CID5361178 1760
Systematic (IUPAC) name
2-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]azaniumyloxyethyl-diethylazaniumdichloride
Identifiers
CAS number	?
ATC code	?
PubChem	5361178
Chemical data
Formula	C26H35Cl2N3O5
Mol. mass	540.4792
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

540.4792

*Exact Mass

539.195377

*Molecular Formula

C₂₆H₃₅Cl₂N₃O₅

*IUPAC NAME

2-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]azaniumyloxyethyl-diethylazaniumdichloride

*Canonical Smiles

CC[NH+](CC)CCO[NH+]=C(C1=CC(=C(C=C1)OC)OC)C2=NC=CC3=CC(=C(C=C32)OC)OC.[Cl-].[Cl-]

*Isomeric Smiles

CC[NH+](CC)CCO/[NH+]=C(C1=CC(=C(C=C1)OC)OC)/C2=NC=CC3=CC(=C(C=C32)OC)OC.[Cl-].[Cl-]

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

8

*Rotational Bond Count

12

*Topological Polar Surface Area

77.5

[edit] External Links

• Pubchem

Link to BIAdb Database