1. Primary Information
| English name: | Daturine Hydrobromide |
| CAS No.: | 306-03-6 |
| Molecular formula: | C17H24BRNO3 |
| Molecular weight: | 370.3 g/mol |
| SMILES: | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.Br |
| Structural class: | |
| Other identifiers: |
Anaspaz Atropine Sulfate, 3(S)-endo-Isomer Atropine, 3(S)-endo-Isomer Cytospaz Hyoscyamine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | - | 600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
4.2 InChI
InChI=1S/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15?,16-;/m1./s1
4.3 InChIKey
VZDNSFSBCMCXSK-BXSBZORQSA-N
4.4 Canonical SMILES
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.Br
4.5 Isomeric SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.Br
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
