CAS 17660-02-5 Scopolamine β-D-Glucuronide

Scopolamine β-D-Glucuronide

A metabolite of scopolamine. Scopolamine is an acetylcholine antagonist used in treatment of motion sickness, postoperative nausea and vomiting, antispasmodic, mydriatic, preanesthetic medicant.

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Catalog

BRP-02094

Synonyms

(2S)-3-[[(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl]oxy]-3-oxo-2-phenylpropyl β-D-Glucopyranosiduronic Acid; (-)-Scopolamine 9'-glucuronide; Scopolamine O-β-D-glucuronide; 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, monoester with β-carboxyphenethyl β-D-glucopyranosiduronic acid; Glucopyranosiduronic acid, β-carboxyphenethyl, mono(6β,7β-epoxy-1αH,5αH-tropan-3α-yl) ester, β-D-; β-D-Glucopyranosiduronic acid, 3-[(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl)oxy]-3-oxo-2-phenylpropyl, [7(S)-(1α,2β,4β,5α,7β)]-; Scopolamine glucuronide

CAS

17660-02-5

IUPAC Name

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((S)-3-(((1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy)-3-oxo-2-phenylpropoxy)tetrahydro-2H-pyran-2-carboxylic acid

Molecular Weight

479.48

Molecular Formula

C23H29NO10

Canonical SMILES

O=C(O)C1OC(OCC(C(=O)OC2CC3N(C)C(C2)C4OC43)C=5C=CC=CC5)C(O)C(O)C1O

InChI

InChI=1S/C23H29NO10/c1-24-13-7-11(8-14(24)19-18(13)33-19)32-22(30)12(10-5-3-2-4-6-10)9-31-23-17(27)15(25)16(26)20(34-23)21(28)29/h2-6,11-20,23,25-27H,7-9H2,1H3,(H,28,29)/t11-,12-,13-,14+,15+,16+,17-,18-,19+,20+,23-/m1/s1

InChIKey

NIZFCRZRBBERQF-STJJODSKSA-N

Boiling Point

711.1±60.0 °C at 760 mmHg

Melting Point

167-172 °C (dec.)

Purity

>95%

Density

1.53±0.1 g/cm3

Solubility

Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly)

Appearance

White to light yellow to light orange solid

Storage

Store at -20 °C, under inert atmosphere

Chemical Structure:

Scopolamine β-D-Glucuronide - CAS 17660-02-5

Scopolamine β-D-Glucuronide