Allocryptopine

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Allocryptopine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	98570
Chemical data
Formula	C21H23NO5
Mol. mass	369.41102
SMILES	eMolecules & PubChem
Physical data
Melt. point	160.5 °C
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Synthesis 3 General Properties 4 Function 5 External Links

Description

Allocryptopine has been isolated from opium in approximatety 0.01 per cent yietd as the -form. The alkaloid has been identified by NMR and mass spectrometry and by comparison of its infrared spectrum with that of its allotropic modification, -allocryptopine.it induces muscle contraction and relaxation in urinary bladder and ileum, respectively.Crystals of α- and β-allocryptopine were studied by X-ray diffraction analysis and have been found to be crystal modifications of allocryptopine.

Synthesis

(S)-n-methylcanadine + NADPH + O2 = allocryptopine + NADP⁺ + H2O

General Properties

*Molecular Weight

369.41102

*Molecular Formula

C₂₁H₂₃NO₅

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3

*Isomeric Smiles

N/A

*XLogP

2.3

*Topological Polar Surface Area

57.2

IC50

37 ± 8 µM

Function

oxytocic agent

External Links

• Pubchem

Link to BIAdb Database