SCOPOLAMINE-HBR-ANHYDRATE
Compound with spectra: 6 NMR
| SpectraBase Compound ID | 9V87eEMOnym |
|---|---|
| InChI | InChI=1S/C17H21NO4.BrH/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/t11-,12-,13-,14+,15-,16+;/m1./s1 |
| InChIKey | WTGQALLALWYDJH-MOUKNHLCSA-N |
| Mol Weight | 384.27 g/mol |
| Molecular Formula | C17H22BrNO4 |
| Exact Mass | 383.073221 g/mol |
| Parent InChIKey | STECJAGHUSJQJN-FWXGHANASA-N |
| Enantiomer InChIKey | WTGQALLALWYDJH-GENQDRINSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | SOLID_STATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | SOLID-STATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD2Cl2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD2Cl2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
- SCOPOLAMINE-HBR-AX-ME
- SCOPOLAMINE-HBR-EQ-ME
Scopolamine hydrobromide hydrate
6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol, (-)-tropate (ester), hydrobromide, trihydrate
Scopolamine HBr monohydrate
STECJAGHUSJQJN-QBMZJCKTSA-N
Scopolaminium cation
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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