Scopolamine N-Oxide Hydrobromide
[CAS# 6106-81-6]

Identification

• Classification: Natural product >> Alkaloid
• Name: Scopolamine N-Oxide Hydrobromide
• Synonyms: 1.Alpha.H,5.Alpha.H-Tropan-3.Alpha.-Ol, 6.Beta.,7.Beta.-Epoxy-, (-)-Tropate (Ester), 8-Oxide, Hydrobromide; Benzeneacetic Acid, .Alpha.-(Hydroxymethyl)-, 9-Methyl-3-Oxa-9-Azatricyclo[3.3.1.02,4]Non-7-Yl Ester, N-Oxide, Hydrobromide, [7(S)-(1.Alpha.,2.Beta.,4.Beta.,5.Alpha.,7.Beta.)]-; Nsc61807
• Molecular Formula: C₁₇H₂₂BrNO₅
• Molecular Weight: 400.27
• CAS Registry Number: 6106-81-6
• EINECS: 228-066-8
• SMILES: [C@H]12O[C@H]1[C@H]4[N+]([O-])([C@H]2CC(OC(=O)[C@H](CO)C3=CC=CC=C3)C4)C.[H+].[Br-]
• InChI: 1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13+,14+,15-,16+,18?;/m1./s1
• InChIKey: MGNNYKWRWHQLCR-XWDDIHSFSA-N

Properties

• Melting point: 137°C (Expl.)