BIAdb Perphyllon 2929

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BIAdb Perphyllon 2929
Systematic (IUPAC) name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)3-hydroxy-2-phenylpropanoate; 1,3-dimethyl-7H-purine-2,6-dione;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione; nitrate; hydrochloride
Identifiers
CAS number	?
ATC code	?
PubChem	11979817
Chemical data
Formula	C66H80ClN13O18
Mol. mass	1378.8707
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

1378.8707

*Exact Mass

1377.543281

*Molecular Formula

C₆₆H₈₀ClN₁₃O₁₈

*IUPAC NAME

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)3-hydroxy-2-phenylpropanoate; 1,3-dimethyl-7H-purine-2,6-dione;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione; nitrate; hydrochloride

*Canonical Smiles

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO.C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[N+](=O)([O-])[O-].Cl

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

6

*Hydrogen bond acceptor

21

*Rotational Bond Count

15

*Topological Polar Surface Area

386

[edit] External Links

• Pubchem

Link to BIAdb Database