BIAdb 6'-bromodihydropapaverine 1057

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BIAdb 6'-bromodihydropapaverine 1057
Systematic (IUPAC) name
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	43029
Chemical data
Formula	C₂₀H₂₂BrNO₄
Mol. mass	420.29698
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

420.29698

*Exact Mass

419.073221

*Molecular Formula

C₂₀H₂₂BrNO₄

*IUPAC NAME

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

*Canonical Smiles

COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

3.8

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

6

*Topological Polar Surface Area

49.3