BIAdb Ethaverine 2148

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Revision as of 11:14, 20 November 2009

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BIAdb Ethaverine 2148
Systematic (IUPAC) name
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
Identifiers
CAS number	?
ATC code	?
PubChem	13796
Chemical data
Formula	C24H30ClNO4
Mol. mass	431.9523
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

Description

Source

N/A

Function

Smooth muscle relaxant

General Properties

*Molecular Weight

431.9523

*Exact Mass

431.186336

*Molecular Formula

C₂₄H₃₀ClNO₄

*IUPAC NAME

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride

*Canonical Smiles

CCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

10

*Topological Polar Surface Area

51.1

External Links

• Pubchem

Link to BIAdb Database