Isothebaine

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	==Description==		==Description==
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	structure in first source		structure in first source
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		+	Isothebaine and isocorydine showed relaxant properties in the rat aorta. They relaxed the contractions induced by noradrenaline to a greater extent than those induced by KCl and they also inhibited the noradrenaline-induced contraction in calcium-free solution.
	==General Properties==		==General Properties==

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Revision as of 04:53, 30 April 2009

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Isothebaine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	11281
Chemical data
Formula	C19H21NO3
Mol. mass	311.37494
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

structure in first source

Isothebaine and isocorydine showed relaxant properties in the rat aorta. They relaxed the contractions induced by noradrenaline to a greater extent than those induced by KCl and they also inhibited the noradrenaline-induced contraction in calcium-free solution.

General Properties

*Molecular Weight

311.37494

*Molecular Formula

C₁₉H₂₁NO₃

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC

*XLogP

2.9

*Topological Polar Surface Area

41.9

External Links

• Pubchem

Link to BIAdb Database