Scopolamine HBr monohydrate
Compound with spectra: 2 NMR, 1 FTIR, and 1 Raman
| 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 |
| Copyright | Copyright © 2009-2025 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 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | SOLID_STATE |
| Copyright | Copyright © 2012-2025 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 |
| Copyright | Copyright © 2016-2025 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
HYOSCIN-HYDROBROMID,(SCOPOLAMIN)
6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol, (-)-tropate (ester), hydrobromide, trihydrate
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 -H2O @
Scopolamine-A (-H2O)
OXITROPIUM-ARTIFACT 2
Noratropine, N,o-bis(trifluoroacetyl)-
3-Hydroxy-6-(2-methylbutyryloxy)tropane
| 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 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
KnowItAll Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.