1. Primary Information
| English name: | 1(6H)-Pyridazinebutanoic acid, 6-imino-3-(4-methoxyphenyl)-, monohydrobromide |
| CAS No.: | 104104-50-9 |
| Molecular formula: | C15H18BRN3O3 |
| Molecular weight: | 368.23 g/mol |
| SMILES: | COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O.Br |
| Structural class: | |
| Other identifiers: |
6-amino-5-methyl-3-(4-methoxyphenyl)-1-pyridaziniumbutyric acid, bromide gabazine SR 95531 SR-95531 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 98%(HPLC) | 720 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 98%(HPLC) | 1920 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 98%(HPLC) | 3200 | 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-[6-imino-3-(4-methoxyphenyl)pyridazin-1-yl]butanoic acid;hydrobromide
4.2 InChI
InChI=1S/C15H17N3O3.BrH/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20;/h4-9,16H,2-3,10H2,1H3,(H,19,20);1H
4.3 InChIKey
GFZHNFOGCMEYTA-UHFFFAOYSA-N
4.4 Canonical SMILES
COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O.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 --
