Apohyoscine

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For Research Use Only.

Category

Alkaloids

Cat.No.

NP0493

CAS

535-26-2

Product Name

Apohyoscine

Structure

Product Details

Description

Apohyoscine is a bio-active isolate of Datura ferox and several species of Physochlaina.

Synonyms

α-Methylenebenzeneacetic Acid (1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester; Aposcopolamin

IUPAC Name

[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate

Molecular Weight

285.34

Molecular Formula

C17H19NO3

Canonical SMILES

CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4

InChI

InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15-,16+

InChIKey

JJNVDCBKBUSUII-LHIUVBILSA-N

Boiling Point

415.5±45.0°C (Predicted)

Melting Point

96 - 98°C

Purity

> 95%

Density

1.25±0.1 g/cm3 (20ºC 760 Torr)

Appearance

Off-White to Pale Yellow Solid

Storage

-20°C Freezer

Color

Orange

Form

Powder

pKa

8.03±0.40(Predicted)

Uses

A metabolite of scopolamine.

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