BIAdb Prestwick 99 2946

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BIAdb Prestwick 99 2946
Systematic (IUPAC) name
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	271325
Chemical data
Formula	C21H26BrNO4
Mol. mass	436.33944
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

Unknown

General Properties

*Molecular Weight

436.33944

*Exact Mass

435.104521

*Molecular Formula

C₂₁H₂₆BrNO₄

*IUPAC NAME

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

4.4

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

6

*Topological Polar Surface Area

40.2

External Links

• Pubchem

Link to BIAdb Database