BIAdb Tetrahydropapaverine 3356

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BIAdb Tetrahydropapaverine 3356
Systematic (IUPAC) name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium chloride
Identifiers
CAS number	?
ATC code	?
PubChem	22944
Chemical data
Formula	C₂₀H₂₆ClNO₄
Mol. mass	379.87774
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

379.87774

*Exact Mass

379.155036

*Molecular Formula

C₂₀H₂₆ClNO₄

*IUPAC NAME

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium chloride

*Canonical Smiles

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)OC.[Cl-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

6

*Topological Polar Surface Area

53.5