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Scopolamine HBr monohydrate

Compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Scopolamine HBr monohydrate
SpectraBase Compound ID AAXPoA2JEVp
InChI InChI=1S/C17H21NO4.BrH.H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;/h2-6,11-16,19H,7-9H2,1H3;1H;1H2/t11-,12-,13-,14+,15-,16+;;/m1../s1
InChIKey UXOOBDDSNJVVBU-HXNADDDPSA-N
Mol Weight 402.285 g/mol
Molecular Formula C17H24BrNO5
Exact Mass 401.083786 g/mol
Parent InChIKey XDWFKJOTVOUWAI-MOUKNHLCSA-N
Enantiomer InChIKey UXOOBDDSNJVVBU-SWHGXOFRSA-N

View Spectrum of Scopolamine HBr monohydrate

ATR-IR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Source of Spectrum Forensic Spectral Research
Catalog Number 01715

View Spectrum of Scopolamine HBr monohydrate

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID_STATE

View Spectrum of Scopolamine HBr monohydrate

Raman Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Source of Spectrum Forensic Spectral Research
Catalog Number 01715

View Spectrum of Scopolamine HBr monohydrate

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID-STATE
  • alpha-(Hydroxymethyl)benzeneacetic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
  • SCOPOLAMINE-HBR.1,5H2O
SCOPOLAMINE-HBR-ANHYDRATE
6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol, (-)-tropate (ester), hydrobromide, trihydrate
Scopolamine hydrobromide hydrate
HYOSCIN-HYDROBROMID,(SCOPOLAMIN)
STECJAGHUSJQJN-QBMZJCKTSA-N
Scopolaminium cation
2-phenylhydracrylic acid, 6 beta, 7 beta-epoxy-1alpha H, 5 alpha H-tropan-3 alpha-yl ester, hydrochloride
Scopolamine-A (-H2O)
OXITROPIUM-ARTIFACT 2
Propanoic acid, 2-methyl-, 3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-yl ester, (3-endo,6-exo)-(.+-.)-
Title Journal or Book Year
Conformational Pseudopolymorphism and Solid-State CPMAS NMR Studies for Determination of Solvent-Dependent Solution-State Conformational Preferences for (−)-Scopolamine Hydrobromide/Hydrochloride Salts The Journal of Organic Chemistry 1999
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