O-(4-ethoxybutyl)berbamine

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O-(4-ethoxybutyl)berbamine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	188375
Chemical data
Formula	C43H52N2O7
Mol. mass	708.88218
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

structure given in first source; calmodulin antagonist

[edit] General Properties

*Molecular Weight

708.88218

*Molecular Formula

C₄₃H₅₂N₂O₇

*IUPAC NAME

N/A

*Canonical Smiles

CCOCCCCOC1=C2C=C(CC3C4=C(C(=C(C=C4CCN3C)OC)OC)OC5=C(C=C6CCN(C(C6=C5)CC7=CC=C(O2)C=C7)C)OC)C=C1

*Isomeric Smiles

CCOCCCCOC1=C2C=C(C[C@@H]3C4=C(C(=C(C=C4CCN3C)OC)OC)OC5=C(C=C6CCN([C@H](C6=C5)CC7=CC=C(O2)C=C7)C)OC)C=C1

*XLogP

6.4

*Topological Polar Surface Area

71.1

[edit] External Links

• Pubchem

Link to BIAdb Database