1. Primary Information
| English name: | Hydrocotarnine hydrobromide |
| CAS No.: | 5985-00-2 |
| Molecular formula: | C12H16BRNO3 |
| Molecular weight: | 302.16 g/mol |
| SMILES: | CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.Br |
| Structural class: | |
| Other identifiers: |
hydrocotarnine hydrocotarnine hydrobromide hydrocotarnine hydrochloride hydrocotarnine hydrochloride monohydrate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | - | 1072 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrobromide
4.2 InChI
InChI=1S/C12H15NO3.BrH/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5H,3-4,6-7H2,1-2H3;1H
4.3 InChIKey
VMLDPXIOBIJNAW-UHFFFAOYSA-N
4.4 Canonical SMILES
CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.Br
4.5 Isomeric SMILES
-
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 --
