BIAdb Migraine-Kranit 2691

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BIAdb Migraine-Kranit 2691
Systematic (IUPAC) name
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;N-(4-hydroxyphenyl)acetamide; 1,3,7-trimethylpurine-2,6-dione;hydrochloride
Identifiers
CAS number	?
ATC code	?
PubChem	11988033
Chemical data
Formula	C66H79ClN10O12
Mol. mass	1239.84626
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

1239.84626

*Exact Mass

1238.556746

*Molecular Formula

C₆₆H₇₉ClN₁₀O₁₂

*IUPAC NAME

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;N-(4-hydroxyphenyl)acetamide; 1,3,7-trimethylpurine-2,6-dione;hydrochloride

*Canonical Smiles

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CC(=O)NC1=CC=C(C=C1)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

5

*Hydrogen bond acceptor

15

*Rotational Bond Count

15

*Topological Polar Surface Area

256

[edit] External Links

• Pubchem

Link to BIAdb Database