1. Primary Information
| English name: | Pilocarpic acid |
| CAS No.: | 28406-15-7 |
| Molecular formula: | C11H18N2O3 |
| Molecular weight: | 226.27 g/mol |
| SMILES: | CCC(C(CC1=CN=CN1C)CO)C(=O)O |
| Structural class: | |
| Other identifiers: |
(2R,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)butanoic acid isopilocarpic acid pilocarpic acid pilocarpic acid, (R-(R*,R*))-isomer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥90% | 1160 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
4.2 InChI
InChI=1S/C11H18N2O3/c1-3-10(11(15)16)8(6-14)4-9-5-12-7-13(9)2/h5,7-8,10,14H,3-4,6H2,1-2H3,(H,15,16)/t8-,10-/m0/s1
4.3 InChIKey
WJRPDGADPABWOY-WPRPVWTQSA-N
4.4 Canonical SMILES
CCC(C(CC1=CN=CN1C)CO)C(=O)O
4.5 Isomeric SMILES
CC[C@@H]([C@@H](CC1=CN=CN1C)CO)C(=O)O
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
