1. Primary Information
| English name: | Sodium aristolochate |
| CAS No.: | 10190-99-5 |
| Molecular formula: | C17H10NNAO7 |
| Molecular weight: | 363.25 g/mol |
| SMILES: | COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid aristolochic acid aristolochic acid A aristolochic acid I aristolochic acid I, sodium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥97% | 768 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | HPLC≥97% | 2240 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
4.2 InChI
InChI=1S/C17H11NO7.Na/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1
4.3 InChIKey
BQVOPWJSBBMGBR-UHFFFAOYSA-M
4.4 Canonical SMILES
COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+]
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 --
