1. Primary Information
| English name: | Olopatadine Hydrochloride |
| CAS No.: | 140462-76-6 |
| Molecular formula: | C21H24ClNO3 |
| Molecular weight: | 373.9 g/mol |
| SMILES: | CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl |
| Structural class: | |
| Other identifiers: |
11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid 4679, KW Hydrochloride, Olopatadine KW 4679 KW 4943A |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥99% | 128 | 2-8℃ | in stock | - |
| Kehua Intelligence | 20mg | HPLC≥99% | 240 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 56 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 128 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 448 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 1600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride
4.2 InChI
InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;
4.3 InChIKey
HVRLZEKDTUEKQH-NOILCQHBSA-N
4.4 Canonical SMILES
CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl
4.5 Isomeric SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl
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 --
