1. Primary Information
| English name: | Clebopride malate |
| CAS No.: | 57645-91-7 |
| Molecular formula: | C24H30ClN3O7 |
| Molecular weight: | 508.0 g/mol |
| SMILES: | COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
clebopride clebopride fumarate (1:1) clebopride maleate clebopride maleate (1:1) clebopride mono-hydrochloride |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 1760 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5mg | 99% | 201 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 99% | 278 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 99% | 640 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 99% | 1216 | 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-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;2-hydroxybutanedioic acid
4.2 InChI
InChI=1S/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)
4.3 InChIKey
NYNKCGWJPNZJMI-UHFFFAOYSA-N
4.4 Canonical SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)O)O)C(=O)O
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 --
